Version 0.10.1 (#66)

* add biomek.py demo implementation

* 更新LiquidHandlerBiomek类,添加资源创建功能,优化协议创建方法,修复部分代码格式问题,更新YAML配置以支持新功能。

* Test

* fix biomek success type

* Convert LH action to biomek.

* Update biomek.py

* 注册表上报handle和schema (param input)

* 修复biomek缺少的字段

* delete 's'

* Remove warnings

* Update biomek.py

* Biomek test

* Update biomek.py

* 新增transfer_biomek的msg

* New transfer_biomek

* Updated transfer_biomek

* 更新transfer_biomek的msg

* 更新transfer_biomek的msg

* 支持Biomek创建

* new action

* fix key name typo

* New parameter for biomek to run.

* Refine

* Update

* new actions

* new actions

* 1

* registry

* fix biomek startup
add action handles

* fix handles not as default entry

* biomek_test.py

biomek_test.py是最新的版本,运行它会生成complete_biomek_protocol.json

* Update biomek.py

* biomek_test.py

* fix liquid_handler.biomek handles

* host node新增resource add时间统计
create_resource新增handle
bump version to 0.9.2

* 修正物料上传时间
改用biomek_test
增加ResultInfoEncoder
支持返回结果上传

* 正确发送return_info结果

* 同步执行状态信息

* 取消raiseValueError提示

* Update biomek_test.py

* 0608 DONE

* 同步了Biomek.py 现在应可用

* biomek switch back to non-test

* temp disable initialize resource

* 37-biomek-i5i7 (#40)

* add biomek.py demo implementation

* 更新LiquidHandlerBiomek类,添加资源创建功能,优化协议创建方法,修复部分代码格式问题,更新YAML配置以支持新功能。

* Test

* fix biomek success type

* Convert LH action to biomek.

* Update biomek.py

* 注册表上报handle和schema (param input)

* 修复biomek缺少的字段

* delete 's'

* Remove warnings

* Update biomek.py

* Biomek test

* Update biomek.py

* 新增transfer_biomek的msg

* New transfer_biomek

* Updated transfer_biomek

* 更新transfer_biomek的msg

* 更新transfer_biomek的msg

* 支持Biomek创建

* new action

* fix key name typo

* New parameter for biomek to run.

* Refine

* Update

* new actions

* new actions

* 1

* registry

* fix biomek startup
add action handles

* fix handles not as default entry

* biomek_test.py

biomek_test.py是最新的版本,运行它会生成complete_biomek_protocol.json

* Update biomek.py

* biomek_test.py

* fix liquid_handler.biomek handles

* host node新增resource add时间统计
create_resource新增handle
bump version to 0.9.2

* 修正物料上传时间
改用biomek_test
增加ResultInfoEncoder
支持返回结果上传

* 正确发送return_info结果

* 同步执行状态信息

* 取消raiseValueError提示

* Update biomek_test.py

* 0608 DONE

* 同步了Biomek.py 现在应可用

* biomek switch back to non-test

* temp disable initialize resource

* Refine biomek

* Refine copy issue

* Refine

---------

Co-authored-by: Junhan Chang <changjh@pku.edu.cn>
Co-authored-by: Guangxin Zhang <guangxin.zhang.bio@gmail.com>
Co-authored-by: qxw138 <qxw@stu.pku.edu.cn>

* Device visualization (#39)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* 提取lh的joint发布

* unify liquid_handler definition

* 修改物料跟随与物料添加逻辑

修改物料跟随与物料添加逻辑
将joint_publisher类移出lh的backends,但仍需要对lh的backends进行一些改写

* Revert "修改物料跟随与物料添加逻辑"

This reverts commit 498c997ad7.

* Reapply "修改物料跟随与物料添加逻辑"

This reverts commit 3a60d2ae81.

* Revert "Merge remote-tracking branch 'upstream/dev' into device_visualization"

This reverts commit fa727220af, reversing
changes made to 498c997ad7.

* 修改物料放下时的方法,如果选择

修改物料放下时的方法,
如果选择drop_trash,则删除物料显示
如果选择drop,则让其解除连接

* add biomek.py demo implementation

* 更新LiquidHandlerBiomek类,添加资源创建功能,优化协议创建方法,修复部分代码格式问题,更新YAML配置以支持新功能。

* Test

* fix biomek success type

* Convert LH action to biomek.

* Update biomek.py

* 注册表上报handle和schema (param input)

* 修复biomek缺少的字段

* delete 's'

* Remove warnings

* Update biomek.py

* Biomek test

* Update biomek.py

* 新增transfer_biomek的msg

* New transfer_biomek

* Updated transfer_biomek

* 更新transfer_biomek的msg

* 更新transfer_biomek的msg

* 支持Biomek创建

* new action

* fix key name typo

* New parameter for biomek to run.

* Refine

* Update

* new actions

* new actions

* 1

* registry

* fix biomek startup
add action handles

* fix handles not as default entry

* unilab添加moveit启动

1,整合所有moveit节点到一个move_group中,并整合所有的controller依次激活
2,添加pymoveit2的节点,使用json可直接启动
3,修改机械臂规划方式,添加约束,让冗余关节不会进行过多移动

* biomek_test.py

biomek_test.py是最新的版本,运行它会生成complete_biomek_protocol.json

* Update biomek.py

* biomek_test.py

* fix liquid_handler.biomek handles

* 修改物体attach时,多次赋值当前时间导致卡顿问题,

* Revert "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 56d45b94f5.

* Reapply "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 07d9db20c3.

* 添加缺少物料:"plate_well_G12",

* host node新增resource add时间统计
create_resource新增handle
bump version to 0.9.2

* 修正物料上传时间
改用biomek_test
增加ResultInfoEncoder
支持返回结果上传

* 正确发送return_info结果

* 同步执行状态信息

* 取消raiseValueError提示

* Update biomek_test.py

* 0608 DONE

* 同步了Biomek.py 现在应可用

* biomek switch back to non-test

* temp disable initialize resource

* add

* fix tip resource data

* liquid states

* change to debug level

* Revert "change to debug level"

This reverts commit 5d9953c3e5.

* Reapply "change to debug level"

This reverts commit 2487bb6ffc.

* fix tip resource data

* add full device

* add moveit yaml

* 修复moveit
增加post_init阶段,给予ros_node反向

* remove necessary node

* fix moveit action client

* remove necessary imports

* Update moveit_interface.py

* fix handler_key uppercase

* json add liquids

* fix setup

* add

* change to "sources" and "targets" for lh

* bump version

* remove parent's parent link

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>
Co-authored-by: Guangxin Zhang <guangxin.zhang.bio@gmail.com>
Co-authored-by: qxw138 <qxw@stu.pku.edu.cn>

* Device visualization (#41)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* 提取lh的joint发布

* unify liquid_handler definition

* 修改物料跟随与物料添加逻辑

修改物料跟随与物料添加逻辑
将joint_publisher类移出lh的backends,但仍需要对lh的backends进行一些改写

* Revert "修改物料跟随与物料添加逻辑"

This reverts commit 498c997ad7.

* Reapply "修改物料跟随与物料添加逻辑"

This reverts commit 3a60d2ae81.

* Revert "Merge remote-tracking branch 'upstream/dev' into device_visualization"

This reverts commit fa727220af, reversing
changes made to 498c997ad7.

* 修改物料放下时的方法,如果选择

修改物料放下时的方法,
如果选择drop_trash,则删除物料显示
如果选择drop,则让其解除连接

* add biomek.py demo implementation

* 更新LiquidHandlerBiomek类,添加资源创建功能,优化协议创建方法,修复部分代码格式问题,更新YAML配置以支持新功能。

* Test

* fix biomek success type

* Convert LH action to biomek.

* Update biomek.py

* 注册表上报handle和schema (param input)

* 修复biomek缺少的字段

* delete 's'

* Remove warnings

* Update biomek.py

* Biomek test

* Update biomek.py

* 新增transfer_biomek的msg

* New transfer_biomek

* Updated transfer_biomek

* 更新transfer_biomek的msg

* 更新transfer_biomek的msg

* 支持Biomek创建

* new action

* fix key name typo

* New parameter for biomek to run.

* Refine

* Update

* new actions

* new actions

* 1

* registry

* fix biomek startup
add action handles

* fix handles not as default entry

* unilab添加moveit启动

1,整合所有moveit节点到一个move_group中,并整合所有的controller依次激活
2,添加pymoveit2的节点,使用json可直接启动
3,修改机械臂规划方式,添加约束,让冗余关节不会进行过多移动

* biomek_test.py

biomek_test.py是最新的版本,运行它会生成complete_biomek_protocol.json

* Update biomek.py

* biomek_test.py

* fix liquid_handler.biomek handles

* 修改物体attach时,多次赋值当前时间导致卡顿问题,

* Revert "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 56d45b94f5.

* Reapply "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 07d9db20c3.

* 添加缺少物料:"plate_well_G12",

* host node新增resource add时间统计
create_resource新增handle
bump version to 0.9.2

* 修正物料上传时间
改用biomek_test
增加ResultInfoEncoder
支持返回结果上传

* 正确发送return_info结果

* 同步执行状态信息

* 取消raiseValueError提示

* Update biomek_test.py

* 0608 DONE

* 同步了Biomek.py 现在应可用

* biomek switch back to non-test

* temp disable initialize resource

* add

* fix tip resource data

* liquid states

* change to debug level

* Revert "change to debug level"

This reverts commit 5d9953c3e5.

* Reapply "change to debug level"

This reverts commit 2487bb6ffc.

* fix tip resource data

* add full device

* add moveit yaml

* 修复moveit
增加post_init阶段,给予ros_node反向

* remove necessary node

* fix moveit action client

* remove necessary imports

* Update moveit_interface.py

* fix handler_key uppercase

* json add liquids

* fix setup

* add

* change to "sources" and "targets" for lh

* bump version

* remove parent's parent link

* change arm's name

* change name

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: q434343 <73513873+q434343@users.noreply.github.com>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>
Co-authored-by: Guangxin Zhang <guangxin.zhang.bio@gmail.com>
Co-authored-by: qxw138 <qxw@stu.pku.edu.cn>

* fix move it

* fix move it

* create_resource

* bump ver
modify slot type

* 增加modbus支持
调整protocol node以更好支持多种类型的read和write

* 调整protocol node以更好支持多种类型的read和write

* 补充日志

* Device visualization (#42)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* 提取lh的joint发布

* unify liquid_handler definition

* 修改物料跟随与物料添加逻辑

修改物料跟随与物料添加逻辑
将joint_publisher类移出lh的backends,但仍需要对lh的backends进行一些改写

* Revert "修改物料跟随与物料添加逻辑"

This reverts commit 498c997ad7.

* Reapply "修改物料跟随与物料添加逻辑"

This reverts commit 3a60d2ae81.

* Revert "Merge remote-tracking branch 'upstream/dev' into device_visualization"

This reverts commit fa727220af, reversing
changes made to 498c997ad7.

* 修改物料放下时的方法,如果选择

修改物料放下时的方法,
如果选择drop_trash,则删除物料显示
如果选择drop,则让其解除连接

* unilab添加moveit启动

1,整合所有moveit节点到一个move_group中,并整合所有的controller依次激活
2,添加pymoveit2的节点,使用json可直接启动
3,修改机械臂规划方式,添加约束,让冗余关节不会进行过多移动

* 修改物体attach时,多次赋值当前时间导致卡顿问题,

* Revert "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 56d45b94f5.

* Reapply "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 07d9db20c3.

* 添加缺少物料:"plate_well_G12",

* add

* fix tip resource data

* liquid states

* change to debug level

* Revert "change to debug level"

This reverts commit 5d9953c3e5.

* Reapply "change to debug level"

This reverts commit 2487bb6ffc.

* fix tip resource data

* add full device

* add moveit yaml

* 修复moveit
增加post_init阶段,给予ros_node反向

* remove necessary node

* fix moveit action client

* remove necessary imports

* Update moveit_interface.py

* fix handler_key uppercase

* json add liquids

* fix setup

* add

* change to "sources" and "targets" for lh

* bump version

* remove parent's parent link

* change arm's name

* change name

* fix ik error

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: q434343 <73513873+q434343@users.noreply.github.com>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>

* Add Mock Device for Organic Synthesis\添加有机合成的虚拟仪器和Protocol (#43)

* Add Device MockChiller

Add device MockChiller

* Add Device MockFilter

* Add Device MockPump

* Add Device MockRotavap

* Add Device MockSeparator

* Add Device MockStirrer

* Add Device MockHeater

* Add Device MockVacuum

* Add Device MockSolenoidValve

* Add Device Mock \_init_.py

* 规范模拟设备代码与注册表信息

* 更改Mock大写文件夹名

* 删除大写目录

* Edited Mock device json

* Match mock device with action

* Edit mock device yaml

* Add new action

* Add Virtual Device, Action, YAML, Protocol for Organic Syn

* 单独分类测试的protocol文件夹

* 更名Action

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>

* bump version & protocol fix

* hotfix: Add macos_sdk_config (#46)

Co-authored-by: quehh <scienceol@outlook.com>

* include device_mesh when pip install

* 测试自动构建

* try build fix

* try build

* test artifacts

* hotfix: Add .certs in .gitignore

* create container

* container 添加和更新完成

* Device registry port (#49)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* unify liquid_handler definition

* Update virtual_device.yaml

* 更正了stir和heater的连接方式

* 区分了虚拟仪器中的八通阀和电磁阀,添加了两个阀门的驱动

* 修改了add protocol

* 修复了阀门更新版的bug

* 修复了添加protocol前缀导致的不能启动的bug

* Fix handles

* bump version to 0.9.6

* add resource edge upload

* update container registry and handles

* add virtual_separator virtual_rotavap
fix transfer_pump

* fix container value
add parent_name to edge device id

* 大图的问题都修复好了,添加了gassource和vacuum pump的驱动以及注册表

* default resource upload mode is false

* 添加了icon的文件名在注册表里面

* 修改了json图中link的格式

* fix resource and edge upload

* fix device ports

* Fix edge id

* 移除device的父节点关联

* separate registry sync and resource_add

* 默认不进行注册表报送,通过命令unilabos-register或者增加启动参数

* 完善tip

* protocol node不再嵌套显示

* bump version to 0.9.7  新增一个测试PumpTransferProtocol的teststation,亲测可以运行,将八通阀们和转移泵与pump_protocol适配

* protocol node 执行action不应携带自身device id

* 添加了一套简易双八通阀工作站JSON,亲测能跑

* 修复了很多protocol,亲测能跑

* 添加了run column和filter through的protocol,亲测能跑

* fix mock_reactor

* 修改了大图和小图的json,但是在前端上没看到改变

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: q434343 <73513873+q434343@users.noreply.github.com>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>

* 更新workstation注册表

* 添加了两个protocol的检索功能 (#51)

* 添加了两个protocol的检索liquid type功能

* fix workstation registry

* 修复了没连接的几个仪器的link,添加了container的icon

* 修改了json和注册表,现在大图全部的device都链接上了

* 修复了小图的json图,线全部连上了

* add work_station protocol handles (ports)

* fix workstation action handle

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
Co-authored-by: Junhan Chang <changjh@dp.tech>

* 新增注册表补全功能,修复Protocol执行失败

* 支持通过导入方式补全注册表,新增工作流unilabos_device_id字段

* 修复不启用注册表补充就无法启动的bug

* 修复部分识别error

* 修复静态方法识别get status,注册表支持python类型

* status types对于嵌套类型返回的对象,暂时处理成字符串,无法直接进行转换

* 支持通过list[int],list[float]进行Int64MultiArray,Float64MultiArray的替换

* 成功动态导入的不再需要使用静态导入

* Fix handle names (#55)

* fix handle names

* improve evacuateAndRefill gas source finding

* add camera and dependency (#56)

* 修复auto-的Action在protocol node下错误注册

* 匹配init param schema格式

* Add channel_sources config in conda_build_config.yaml (#58)

* 修复任务执行传参

* Create 5 new protocols & bump version 0.9.8 (#59)

* 添加了5个缺失的protocol,验证了可以运行

* bump version to 0.9.8

* 修复新增的Action的字段缺失

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>

* 转换到ros消息时,要进行基础类型转换

* Update work_station.yaml (#60)

* Update work_station.yaml

* Checklist里面有XDL跟protocol之间没对齐的问题,工作量有点大找时间写完

* Create prcxi.py

* Update prcxi.py

* Update Prcxi

* 更新中析仪器,以及启动示例

* 修改moveit_interface,并在mqtt上报时发送一个时间戳,方便网页端对数据的筛选 (#62)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* 提取lh的joint发布

* unify liquid_handler definition

* 修改物料跟随与物料添加逻辑

修改物料跟随与物料添加逻辑
将joint_publisher类移出lh的backends,但仍需要对lh的backends进行一些改写

* Revert "修改物料跟随与物料添加逻辑"

This reverts commit 498c997ad7.

* Reapply "修改物料跟随与物料添加逻辑"

This reverts commit 3a60d2ae81.

* Revert "Merge remote-tracking branch 'upstream/dev' into device_visualization"

This reverts commit fa727220af, reversing
changes made to 498c997ad7.

* 修改物料放下时的方法,如果选择

修改物料放下时的方法,
如果选择drop_trash,则删除物料显示
如果选择drop,则让其解除连接

* unilab添加moveit启动

1,整合所有moveit节点到一个move_group中,并整合所有的controller依次激活
2,添加pymoveit2的节点,使用json可直接启动
3,修改机械臂规划方式,添加约束,让冗余关节不会进行过多移动

* 修改物体attach时,多次赋值当前时间导致卡顿问题,

* Revert "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 56d45b94f5.

* Reapply "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 07d9db20c3.

* 添加缺少物料:"plate_well_G12",

* add

* fix tip resource data

* liquid states

* change to debug level

* Revert "change to debug level"

This reverts commit 5d9953c3e5.

* Reapply "change to debug level"

This reverts commit 2487bb6ffc.

* fix tip resource data

* add full device

* add moveit yaml

* 修复moveit
增加post_init阶段,给予ros_node反向

* remove necessary node

* fix moveit action client

* remove necessary imports

* Update moveit_interface.py

* fix handler_key uppercase

* json add liquids

* fix setup

* add

* change to "sources" and "targets" for lh

* bump version

* remove parent's parent link

* change arm's name

* change name

* fix ik error

* 修改moveit_interface,并在mqtt上报时发送一个时间戳

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>

* 更新实例

* 更新实例

* 更新实例

* 修正prcxi启动

* 更新PRCXI配置,修改主机地址和设置状态,并添加示例用法

* add pickup tips for prcxi

* 任意执行错误都应该返回failed

* 任意执行错误都应该返回failed

* Add plateT6 to PRCXI configuration and enhance error handling in liquid handling

* prcxi blending

* assert blending_times > 0

* update prcxi

* update prcxi registry

* Update prcxi.py to fit the function in unilabos.

* 不生成已配置action的动作,增加prcxi的debug模式

* 增加注册表版本参数,支持将auto-指令人工检查后非auto,不生成人工已检查的指令,取消不必要的description生成

* 增加注册表版本参数,支持将auto-指令人工检查后非auto,不生成人工已检查的指令,取消不必要的description生成

* Update prcxi.py

* 修复了部分的protocol因为XDL更新导致的问题 (#61)

* 修复了部分的protocol因为XDL更新导致的问题

但是pumptransfer,add,dissolve,separate还没修,后续还需要写virtual固体加料器

* 补充了四个action

* 添加了固体加样器,丰富了json,修改了add protocol

* bump version to 0.9.9

* fix bugs from new actions

* protocol完整修复版本& bump version to 0.9.10

* 修补了一些单位处理,bump version to 0.9.11

* 优化了全protocol的运行时间,除了pumptransfer相关的还没

* 补充了剩下的几个protocol

---------

Co-authored-by: Junhan Chang <changjh@dp.tech>
Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>

* 修复action移除时的报错,更新注册表

* Update prcxi.py

* Update prcxi.py

* 新增simulator

* Update prcxi.py

* Update trash

* Update prcxi.py

* Update prcxi.py

* Update for discard tips

* Update prcxi.py

* Update PRCXI

* 更新axis等参数

* Update 9320

* get_well_container&get_tip_rack

* update

* Update 9320

* update

* deck

* 更新注册表&增加资源,parent应为resources字段

* Update 9320

* update

* 新增set liquid方法

* 新增set liquid方法

* action to resource & 0.9.12 (#64)

* action to resource & 0.9.12

* stir和adjustph的中的bug修不好

* modify prcxi

* 0.9.12 update registry

* update

* update

* registry upadte

* Update

* update

* container_for_nothing

* mix

* registry fix

* registry fix

* registry fix

* Update

* Update prcxi.py

* SET TIP RACK

* bump version

* update registry version & category

* update set tip rack

* yaml dump支持ordered dict,支持config_info

* fix devices

* fix resource check serialize

* fix: Protocol node resource run (#65)

* stir和adjustph的中的bug修不好

* fix sub-resource query in protocol node compiling

* add resource placeholder to vessels

* add the rest yaml

* Update work_station.yaml

---------

Co-authored-by: KCFeng425 <2100011801@stu.pku.edu.cn>

* 采用http报送resource

* 采用http报送resource

* update

* Update .gitignore

* bump version to 0.10.0

* default param simulator

* slim

* Update

* Update for prcxi

* Update

* Update

* Refactor PRCXI9300Deck initialization and update plate configurations

- Changed deck name from "PRCXI_Deck" to "PRCXI_Deck_9300".
- Updated plate4 initialization to use get_well_container instead of get_tip_rack.
- Modified plate4 material details with new UUID, code, and name.
- Renamed output JSON file to "deck_9300_new.json".
- Uncommented and adjusted liquid handling operations for clarity and future use.

* test

* update

* Update prcxi_9300.json

This one is good

* update

* fix protocol_node communication transfer

* 修复注册表handles类型错误的问题

* 物料添加失败应该直接raise ValueError,不要等待

* 更正注册表中的数字类型

* Delete unnecessary files.

* 新增lab_id直接传入

* fix vessel_id param passing in protocols

* 新增dll预载,保证部分设备可正常使用unilabos_msgs

* 修复可能的web template找不到的问题
新增联网获取json启动
删除非-g传入启动json的方式
兼容传参参数名短横线与下划线

* 修复可能的web template找不到的问题
新增联网获取json启动
删除非-g传入启动json的方式
兼容传参参数名短横线与下划线
更新版本到0.10.1
修复Upload Registry镜像不匹配

* 新增用户引导

* Device visualization (#67)

* Update README and MQTTClient for installation instructions and code improvements

* feat: 支持local_config启动
add: 增加对crt path的说明,为传入config.py的相对路径
move: web component

* add: registry description

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* feat: node_info_update srv
fix: OTDeck cant create

* close #12
feat: slave node registry

* feat: show machine name
fix: host node registry not uploaded

* feat: add hplc registry

* feat: add hplc registry

* fix: hplc status typo

* fix: devices/

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* fix: device.class possible null

* fix: HPLC additions with online service

* fix: slave mode spin not working

* fix: slave mode spin not working

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* feat: 多ProtocolNode 允许子设备ID相同
feat: 上报发现的ActionClient
feat: Host重启动,通过discover机制要求slaveNode重新注册,实现信息及时上报

* feat: 支持env设置config

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* Device visualization (#14)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: missing hostname in devices_names
fix: upload_file for model file

* fix: missing paho-mqtt package
bump version to 0.9.0

* fix startup
add ResourceCreateFromOuter.action

* fix type hint

* update actions

* update actions

* host node add_resource_from_outer
fix cmake list

* pass device config to device class

* add: bind_parent_ids to resource create action
fix: message convert string

* fix: host node should not be re_discovered

* feat: resource tracker support dict

* feat: add more necessary params

* feat: fix boolean null in registry action data

* feat: add outer resource

* 编写mesh添加action

* feat: append resource

* add action

* feat: vis 2d for plr

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

* Device visualization (#22)

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* add 3d visualization

* 完成在main中启动设备可视化

完成在main中启动设备可视化,并输出物料ID:mesh的对应关系resource_model

添加物料模型管理类,遍历物料与resource_model,完成TF数据收集

* 完成TF发布

* 修改模型方向,在yaml中添加变换属性

* 添加物料tf变化时,发送topic到前端

另外修改了物料初始化的方法,防止在tf还未发布时提前建立物料模型与发布话题

* 添加关节发布节点与物料可视化节点进入unilab

* 使用json启动plr与3D模型仿真

* 完成启动OT并联动rviz

* 修复rviz位置问题,

修复rviz位置问题,
在无tf变动时减缓发送频率
在backend中添加物料跟随方法

* fix: running logic

* fix: running logic

* fix: missing ot

* 在main中直接初始化republisher和物料的mesh节点

* 将joint_republisher和resource_mesh_manager添加进 main_slave_run.py中

* 编写mesh添加action

* add action

* fix

* fix: browser on rviz

* fix: cloud bridge error fallback to local

* fix: salve auto run rviz

* 初始化两个plate

---------

Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>

* fix: multi channel

* fix: aspirate

* fix: aspirate

* fix: aspirate

* fix: aspirate

* 提交

* fix: jobadd

* fix: jobadd

* fix: msg converter

* tijiao

* add resource creat easy action

* identify debug msg

* mq client id

* 提取lh的joint发布

* unify liquid_handler definition

* 修改物料跟随与物料添加逻辑

修改物料跟随与物料添加逻辑
将joint_publisher类移出lh的backends,但仍需要对lh的backends进行一些改写

* Revert "修改物料跟随与物料添加逻辑"

This reverts commit 498c997ad7.

* Reapply "修改物料跟随与物料添加逻辑"

This reverts commit 3a60d2ae81.

* Revert "Merge remote-tracking branch 'upstream/dev' into device_visualization"

This reverts commit fa727220af, reversing
changes made to 498c997ad7.

* 修改物料放下时的方法,如果选择

修改物料放下时的方法,
如果选择drop_trash,则删除物料显示
如果选择drop,则让其解除连接

* unilab添加moveit启动

1,整合所有moveit节点到一个move_group中,并整合所有的controller依次激活
2,添加pymoveit2的节点,使用json可直接启动
3,修改机械臂规划方式,添加约束,让冗余关节不会进行过多移动

* 修改物体attach时,多次赋值当前时间导致卡顿问题,

* Revert "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 56d45b94f5.

* Reapply "修改物体attach时,多次赋值当前时间导致卡顿问题,"

This reverts commit 07d9db20c3.

* 添加缺少物料:"plate_well_G12",

* add

* fix tip resource data

* liquid states

* change to debug level

* Revert "change to debug level"

This reverts commit 5d9953c3e5.

* Reapply "change to debug level"

This reverts commit 2487bb6ffc.

* fix tip resource data

* add full device

* add moveit yaml

* 修复moveit
增加post_init阶段,给予ros_node反向

* remove necessary node

* fix moveit action client

* remove necessary imports

* Update moveit_interface.py

* fix handler_key uppercase

* json add liquids

* fix setup

* add

* change to "sources" and "targets" for lh

* bump version

* remove parent's parent link

* change arm's name

* change name

* fix ik error

* 修改moveit_interface,并在mqtt上报时发送一个时间戳

* 添加机械臂和移液站

* 添加

* 添加硬件

* update

* 添加

---------

Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: wznln <18435084+Xuwznln@users.noreply.github.com>
Co-authored-by: zhangshixiang <@zhangshixiang>
Co-authored-by: Junhan Chang <changjh@pku.edu.cn>

* 更新注册表

---------

Co-authored-by: Junhan Chang <changjh@pku.edu.cn>
Co-authored-by: Guangxin Zhang <guangxin.zhang.bio@gmail.com>
Co-authored-by: qxw138 <qxw@stu.pku.edu.cn>
Co-authored-by: q434343 <73513873+q434343@users.noreply.github.com>
Co-authored-by: Harvey Que <Q-Query@outlook.com>
Co-authored-by: Kongchang Feng <2100011801@stu.pku.edu.cn>
Co-authored-by: hh. <103566763+Mile-Away@users.noreply.github.com>
Co-authored-by: quehh <scienceol@outlook.com>
Co-authored-by: Harvey Que <quehaohui@dp.tech>
Co-authored-by: Junhan Chang <changjh@dp.tech>
Co-authored-by: ZiWei <131428629+ZiWei09@users.noreply.github.com>
This commit is contained in:
Xuwznln
2025-08-01 01:25:58 +08:00
committed by GitHub
parent 4224008a92
commit 280d83db57
289 changed files with 254629 additions and 12143 deletions

View File

@@ -21,16 +21,23 @@ from .dissolve_protocol import generate_dissolve_protocol
from .filter_through_protocol import generate_filter_through_protocol
from .run_column_protocol import generate_run_column_protocol
from .wash_solid_protocol import generate_wash_solid_protocol
from .adjustph_protocol import generate_adjust_ph_protocol
from .reset_handling_protocol import generate_reset_handling_protocol
from .dry_protocol import generate_dry_protocol
from .recrystallize_protocol import generate_recrystallize_protocol
from .hydrogenate_protocol import generate_hydrogenate_protocol
# Define a dictionary of protocol generators.
action_protocol_generators = {
AddProtocol: generate_add_protocol,
AGVTransferProtocol: generate_agv_transfer_protocol,
AdjustPHProtocol: generate_adjust_ph_protocol,
CentrifugeProtocol: generate_centrifuge_protocol,
CleanProtocol: generate_clean_protocol,
CleanVesselProtocol: generate_clean_vessel_protocol,
DissolveProtocol: generate_dissolve_protocol,
DryProtocol: generate_dry_protocol,
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol,
EvaporateProtocol: generate_evaporate_protocol,
FilterProtocol: generate_filter_protocol,
@@ -38,7 +45,10 @@ action_protocol_generators = {
HeatChillProtocol: generate_heat_chill_protocol,
HeatChillStartProtocol: generate_heat_chill_start_protocol,
HeatChillStopProtocol: generate_heat_chill_stop_protocol,
HydrogenateProtocol: generate_hydrogenate_protocol,
PumpTransferProtocol: generate_pump_protocol_with_rinsing,
RecrystallizeProtocol: generate_recrystallize_protocol,
ResetHandlingProtocol: generate_reset_handling_protocol,
RunColumnProtocol: generate_run_column_protocol,
SeparateProtocol: generate_separate_protocol,
StartStirProtocol: generate_start_stir_protocol,

File diff suppressed because it is too large Load Diff

View File

@@ -0,0 +1,657 @@
import networkx as nx
import logging
from typing import List, Dict, Any, Union
from .pump_protocol import generate_pump_protocol_with_rinsing
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"[ADJUST_PH] {message}", flush=True)
logger.info(f"[ADJUST_PH] {message}")
# 🆕 创建进度日志动作
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
"""创建一个动作日志"""
full_message = f"{emoji} {message}"
debug_print(full_message)
logger.info(full_message)
print(f"[ACTION] {full_message}", flush=True)
return {
"action_name": "wait",
"action_kwargs": {
"time": 0.1,
"log_message": full_message
}
}
def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
"""
查找酸碱试剂容器,支持多种匹配模式
Args:
G: 网络图
reagent: 试剂名称(如 "hydrochloric acid", "sodium hydroxide"
Returns:
str: 试剂容器ID
"""
debug_print(f"🔍 正在查找试剂 '{reagent}' 的容器...")
# 常见酸碱试剂的别名映射
reagent_aliases = {
"hydrochloric acid": ["HCl", "hydrochloric_acid", "hcl", "muriatic_acid"],
"sodium hydroxide": ["NaOH", "sodium_hydroxide", "naoh", "caustic_soda"],
"sulfuric acid": ["H2SO4", "sulfuric_acid", "h2so4"],
"nitric acid": ["HNO3", "nitric_acid", "hno3"],
"acetic acid": ["CH3COOH", "acetic_acid", "glacial_acetic_acid"],
"ammonia": ["NH3", "ammonium_hydroxide", "nh3"],
"potassium hydroxide": ["KOH", "potassium_hydroxide", "koh"]
}
# 构建搜索名称列表
search_names = [reagent.lower()]
debug_print(f"📋 基础搜索名称: {reagent.lower()}")
# 添加别名
for base_name, aliases in reagent_aliases.items():
if reagent.lower() in base_name.lower() or base_name.lower() in reagent.lower():
search_names.extend([alias.lower() for alias in aliases])
debug_print(f"🔗 添加别名: {aliases}")
break
debug_print(f"📝 完整搜索列表: {search_names}")
# 构建可能的容器名称
possible_names = []
for name in search_names:
name_clean = name.replace(" ", "_").replace("-", "_")
possible_names.extend([
f"flask_{name_clean}",
f"bottle_{name_clean}",
f"reagent_{name_clean}",
f"acid_{name_clean}" if "acid" in name else f"base_{name_clean}",
f"{name_clean}_bottle",
f"{name_clean}_flask",
name_clean
])
debug_print(f"🎯 可能的容器名称 (前5个): {possible_names[:5]}... (共{len(possible_names)}个)")
# 第一步:通过容器名称匹配
debug_print(f"📋 方法1: 精确名称匹配...")
for vessel_name in possible_names:
if vessel_name in G.nodes():
debug_print(f"✅ 通过名称匹配找到容器: {vessel_name} 🎯")
return vessel_name
# 第二步:通过模糊匹配
debug_print(f"📋 方法2: 模糊名称匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_name = G.nodes[node_id].get('name', '').lower()
# 检查是否包含任何搜索名称
for search_name in search_names:
if search_name in node_id.lower() or search_name in node_name:
debug_print(f"✅ 通过模糊匹配找到容器: {node_id} 🔍")
return node_id
# 第三步:通过液体类型匹配
debug_print(f"📋 方法3: 液体类型匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
reagent_name = vessel_data.get('reagent_name', '').lower()
for search_name in search_names:
if search_name in liquid_type or search_name in reagent_name:
debug_print(f"✅ 通过液体类型匹配找到容器: {node_id} 💧")
return node_id
# 列出可用容器帮助调试
debug_print(f"📊 列出可用容器帮助调试...")
available_containers = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
for liquid in liquids if isinstance(liquid, dict)]
available_containers.append({
'id': node_id,
'name': G.nodes[node_id].get('name', ''),
'liquids': liquid_types,
'reagent_name': vessel_data.get('reagent_name', '')
})
debug_print(f"📋 可用容器列表:")
for container in available_containers:
debug_print(f" - 🧪 {container['id']}: {container['name']}")
debug_print(f" 💧 液体: {container['liquids']}")
debug_print(f" 🏷️ 试剂: {container['reagent_name']}")
debug_print(f"❌ 所有匹配方法都失败了")
raise ValueError(f"找不到试剂 '{reagent}' 对应的容器。尝试了: {possible_names[:10]}...")
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
"""查找与容器相连的搅拌器"""
debug_print(f"🔍 查找连接到容器 '{vessel}' 的搅拌器...")
stirrer_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
debug_print(f"📊 发现 {len(stirrer_nodes)} 个搅拌器: {stirrer_nodes}")
for stirrer in stirrer_nodes:
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
debug_print(f"✅ 找到连接的搅拌器: {stirrer} 🔗")
return stirrer
if stirrer_nodes:
debug_print(f"⚠️ 未找到直接连接的搅拌器,使用第一个: {stirrer_nodes[0]} 🔄")
return stirrer_nodes[0]
debug_print(f"❌ 未找到任何搅拌器")
return None
def calculate_reagent_volume(target_ph_value: float, reagent: str, vessel_volume: float = 100.0) -> float:
"""
估算需要的试剂体积来调节pH
Args:
target_ph_value: 目标pH值
reagent: 试剂名称
vessel_volume: 容器体积 (mL)
Returns:
float: 估算的试剂体积 (mL)
"""
debug_print(f"🧮 计算试剂体积...")
debug_print(f" 📍 目标pH: {target_ph_value}")
debug_print(f" 🧪 试剂: {reagent}")
debug_print(f" 📏 容器体积: {vessel_volume}mL")
# 简化的pH调节体积估算实际应用中需要更精确的计算
if "acid" in reagent.lower() or "hcl" in reagent.lower():
debug_print(f"🍋 检测到酸性试剂")
# 酸性试剂pH越低需要的体积越大
if target_ph_value < 3:
volume = vessel_volume * 0.05 # 5%
debug_print(f" 💪 强酸性 (pH<3): 使用 5% 体积")
elif target_ph_value < 5:
volume = vessel_volume * 0.02 # 2%
debug_print(f" 🔸 中酸性 (pH<5): 使用 2% 体积")
else:
volume = vessel_volume * 0.01 # 1%
debug_print(f" 🔹 弱酸性 (pH≥5): 使用 1% 体积")
elif "hydroxide" in reagent.lower() or "naoh" in reagent.lower():
debug_print(f"🧂 检测到碱性试剂")
# 碱性试剂pH越高需要的体积越大
if target_ph_value > 11:
volume = vessel_volume * 0.05 # 5%
debug_print(f" 💪 强碱性 (pH>11): 使用 5% 体积")
elif target_ph_value > 9:
volume = vessel_volume * 0.02 # 2%
debug_print(f" 🔸 中碱性 (pH>9): 使用 2% 体积")
else:
volume = vessel_volume * 0.01 # 1%
debug_print(f" 🔹 弱碱性 (pH≤9): 使用 1% 体积")
else:
# 未知试剂,使用默认值
volume = vessel_volume * 0.01
debug_print(f"❓ 未知试剂类型,使用默认 1% 体积")
debug_print(f"📊 计算结果: {volume:.2f}mL")
return volume
def generate_adjust_ph_protocol(
G: nx.DiGraph,
vessel:Union[dict,str], # 🔧 修改:从字符串改为字典类型
ph_value: float,
reagent: str,
**kwargs
) -> List[Dict[str, Any]]:
"""
生成调节pH的协议序列
Args:
G: 有向图,节点为容器和设备
vessel: 目标容器字典需要调节pH的容器
ph_value: 目标pH值从XDL传入
reagent: 酸碱试剂名称从XDL传入
**kwargs: 其他可选参数,使用默认值
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
if not vessel_id:
debug_print(f"❌ vessel 参数无效必须包含id字段或直接提供容器ID. vessel: {vessel}")
raise ValueError("vessel 参数无效必须包含id字段或直接提供容器ID")
debug_print("=" * 60)
debug_print("🧪 开始生成pH调节协议")
debug_print(f"📋 原始参数:")
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 📊 ph_value: {ph_value}")
debug_print(f" 🧪 reagent: '{reagent}'")
debug_print(f" 📦 kwargs: {kwargs}")
debug_print("=" * 60)
action_sequence = []
# 从kwargs中获取可选参数如果没有则使用默认值
volume = kwargs.get('volume', 0.0) # 自动估算体积
stir = kwargs.get('stir', True) # 默认搅拌
stir_speed = kwargs.get('stir_speed', 300.0) # 默认搅拌速度
stir_time = kwargs.get('stir_time', 60.0) # 默认搅拌时间
settling_time = kwargs.get('settling_time', 30.0) # 默认平衡时间
debug_print(f"🔧 处理后的参数:")
debug_print(f" 📏 volume: {volume}mL (0.0表示自动估算)")
debug_print(f" 🌪️ stir: {stir}")
debug_print(f" 🔄 stir_speed: {stir_speed}rpm")
debug_print(f" ⏱️ stir_time: {stir_time}s")
debug_print(f" ⏳ settling_time: {settling_time}s")
# 开始处理
action_sequence.append(create_action_log(f"开始调节pH至 {ph_value}", "🧪"))
action_sequence.append(create_action_log(f"目标容器: {vessel_id}", "🥼"))
action_sequence.append(create_action_log(f"使用试剂: {reagent}", "⚗️"))
# 1. 验证目标容器存在
debug_print(f"🔍 步骤1: 验证目标容器...")
if vessel_id not in G.nodes():
debug_print(f"❌ 目标容器 '{vessel_id}' 不存在于系统中")
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
debug_print(f"✅ 目标容器验证通过")
action_sequence.append(create_action_log("目标容器验证通过", ""))
# 2. 查找酸碱试剂容器
debug_print(f"🔍 步骤2: 查找试剂容器...")
action_sequence.append(create_action_log("正在查找试剂容器...", "🔍"))
try:
reagent_vessel = find_acid_base_vessel(G, reagent)
debug_print(f"✅ 找到试剂容器: {reagent_vessel}")
action_sequence.append(create_action_log(f"找到试剂容器: {reagent_vessel}", "🧪"))
except ValueError as e:
debug_print(f"❌ 无法找到试剂容器: {str(e)}")
action_sequence.append(create_action_log(f"试剂容器查找失败: {str(e)}", ""))
raise ValueError(f"无法找到试剂 '{reagent}': {str(e)}")
# 3. 体积估算
debug_print(f"🔍 步骤3: 体积处理...")
if volume <= 0:
action_sequence.append(create_action_log("开始自动估算试剂体积", "🧮"))
# 获取目标容器的体积信息
vessel_data = G.nodes[vessel_id].get('data', {})
vessel_volume = vessel_data.get('max_volume', 100.0) # 默认100mL
debug_print(f"📏 容器最大体积: {vessel_volume}mL")
estimated_volume = calculate_reagent_volume(ph_value, reagent, vessel_volume)
volume = estimated_volume
debug_print(f"✅ 自动估算试剂体积: {volume:.2f} mL")
action_sequence.append(create_action_log(f"估算试剂体积: {volume:.2f}mL", "📊"))
else:
debug_print(f"📏 使用指定体积: {volume}mL")
action_sequence.append(create_action_log(f"使用指定体积: {volume}mL", "📏"))
# 4. 验证路径存在
debug_print(f"🔍 步骤4: 路径验证...")
action_sequence.append(create_action_log("验证转移路径...", "🛤️"))
try:
path = nx.shortest_path(G, source=reagent_vessel, target=vessel_id)
debug_print(f"✅ 找到路径: {''.join(path)}")
action_sequence.append(create_action_log(f"找到转移路径: {''.join(path)}", "🛤️"))
except nx.NetworkXNoPath:
debug_print(f"❌ 无法找到转移路径")
action_sequence.append(create_action_log("转移路径不存在", ""))
raise ValueError(f"从试剂容器 '{reagent_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
# 5. 搅拌器设置
debug_print(f"🔍 步骤5: 搅拌器设置...")
stirrer_id = None
if stir:
action_sequence.append(create_action_log("准备启动搅拌器", "🌪️"))
try:
stirrer_id = find_connected_stirrer(G, vessel_id)
if stirrer_id:
debug_print(f"✅ 找到搅拌器 {stirrer_id},启动搅拌")
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed}rpm)", "🔄"))
action_sequence.append({
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel_id,
"stir_speed": stir_speed,
"purpose": f"pH调节: 启动搅拌,准备添加 {reagent}"
}
})
# 等待搅拌稳定
action_sequence.append(create_action_log("等待搅拌稳定...", ""))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
else:
debug_print(f"⚠️ 未找到搅拌器,继续执行")
action_sequence.append(create_action_log("未找到搅拌器,跳过搅拌", "⚠️"))
except Exception as e:
debug_print(f"❌ 搅拌器配置出错: {str(e)}")
action_sequence.append(create_action_log(f"搅拌器配置失败: {str(e)}", ""))
else:
debug_print(f"📋 跳过搅拌设置")
action_sequence.append(create_action_log("跳过搅拌设置", "⏭️"))
# 6. 试剂添加
debug_print(f"🔍 步骤6: 试剂添加...")
action_sequence.append(create_action_log(f"开始添加试剂 {volume:.2f}mL", "🚰"))
# 计算添加时间pH调节需要缓慢添加
addition_time = max(30.0, volume * 2.0) # 至少30秒每mL需要2秒
debug_print(f"⏱️ 计算添加时间: {addition_time}s (缓慢注入)")
action_sequence.append(create_action_log(f"设置添加时间: {addition_time:.0f}s (缓慢注入)", "⏱️"))
try:
action_sequence.append(create_action_log("调用泵协议进行试剂转移", "🔄"))
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=reagent_vessel,
to_vessel=vessel_id,
volume=volume,
amount="",
time=addition_time,
viscous=False,
rinsing_solvent="", # pH调节不需要清洗
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=0.5, # 缓慢注入
transfer_flowrate=0.3
)
action_sequence.extend(pump_actions)
debug_print(f"✅ 泵协议生成完成,添加了 {len(pump_actions)} 个动作")
action_sequence.append(create_action_log(f"试剂转移完成 ({len(pump_actions)} 个操作)", ""))
# 🔧 修复体积运算 - 试剂添加成功后更新容器液体体积
debug_print(f"🔧 更新容器液体体积...")
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
debug_print(f"📊 添加前容器体积: {current_volume}")
# 处理不同的体积数据格式
if isinstance(current_volume, list):
if len(current_volume) > 0:
# 增加体积(添加试剂)
vessel["data"]["liquid_volume"][0] += volume
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
else:
# 如果列表为空,创建新的体积记录
vessel["data"]["liquid_volume"] = [volume]
debug_print(f"📊 初始化容器体积: {volume:.2f}mL")
elif isinstance(current_volume, (int, float)):
# 直接数值类型
vessel["data"]["liquid_volume"] += volume
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
else:
debug_print(f"⚠️ 未知的体积数据格式: {type(current_volume)}")
# 创建新的体积记录
vessel["data"]["liquid_volume"] = volume
else:
debug_print(f"📊 容器无液体体积数据,创建新记录: {volume:.2f}mL")
# 确保vessel有data字段
if "data" not in vessel:
vessel["data"] = {}
vessel["data"]["liquid_volume"] = volume
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
vessel_node_data = G.nodes[vessel_id].get('data', {})
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] += volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
debug_print(f"✅ 图节点体积数据已更新")
action_sequence.append(create_action_log(f"容器体积已更新 (+{volume:.2f}mL)", "📊"))
except Exception as e:
debug_print(f"❌ 生成泵协议时出错: {str(e)}")
action_sequence.append(create_action_log(f"泵协议生成失败: {str(e)}", ""))
raise ValueError(f"生成泵协议时出错: {str(e)}")
# 7. 混合搅拌
if stir and stirrer_id:
debug_print(f"🔍 步骤7: 混合搅拌...")
action_sequence.append(create_action_log(f"开始混合搅拌 {stir_time:.0f}s", "🌀"))
action_sequence.append({
"device_id": stirrer_id,
"action_name": "stir",
"action_kwargs": {
"stir_time": stir_time,
"stir_speed": stir_speed,
"settling_time": settling_time,
"purpose": f"pH调节: 混合试剂目标pH={ph_value}"
}
})
debug_print(f"✅ 混合搅拌设置完成")
else:
debug_print(f"⏭️ 跳过混合搅拌")
action_sequence.append(create_action_log("跳过混合搅拌", "⏭️"))
# 8. 等待平衡
debug_print(f"🔍 步骤8: 反应平衡...")
action_sequence.append(create_action_log(f"等待pH平衡 {settling_time:.0f}s", "⚖️"))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": settling_time,
"description": f"等待pH平衡到目标值 {ph_value}"
}
})
# 9. 完成总结
total_time = addition_time + stir_time + settling_time
debug_print("=" * 60)
debug_print(f"🎉 pH调节协议生成完成")
debug_print(f"📊 协议统计:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f}分钟)")
debug_print(f" 🧪 试剂: {reagent}")
debug_print(f" 📏 体积: {volume:.2f}mL")
debug_print(f" 📊 目标pH: {ph_value}")
debug_print(f" 🥼 目标容器: {vessel_id}")
debug_print("=" * 60)
# 添加完成日志
summary_msg = f"pH调节协议完成: {vessel_id} → pH {ph_value} (使用 {volume:.2f}mL {reagent})"
action_sequence.append(create_action_log(summary_msg, "🎉"))
return action_sequence
def generate_adjust_ph_protocol_stepwise(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
ph_value: float,
reagent: str,
max_volume: float = 10.0,
steps: int = 3
) -> List[Dict[str, Any]]:
"""
分步调节pH的协议更安全避免过度调节
Args:
G: 网络图
vessel: 目标容器字典
ph_value: 目标pH值
reagent: 酸碱试剂
max_volume: 最大试剂体积
steps: 分步数量
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改从字典中提取容器ID
vessel_id = vessel["id"]
debug_print("=" * 60)
debug_print(f"🔄 开始分步pH调节")
debug_print(f"📋 分步参数:")
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 📊 ph_value: {ph_value}")
debug_print(f" 🧪 reagent: {reagent}")
debug_print(f" 📏 max_volume: {max_volume}mL")
debug_print(f" 🔢 steps: {steps}")
debug_print("=" * 60)
action_sequence = []
# 每步添加的体积
step_volume = max_volume / steps
debug_print(f"📊 每步体积: {step_volume:.2f}mL")
action_sequence.append(create_action_log(f"开始分步pH调节 ({steps}步)", "🔄"))
action_sequence.append(create_action_log(f"每步添加: {step_volume:.2f}mL", "📏"))
for i in range(steps):
debug_print(f"🔄 执行第 {i+1}/{steps} 步,添加 {step_volume:.2f}mL")
action_sequence.append(create_action_log(f"{i+1}/{steps} 步开始", "🚀"))
# 生成单步协议
step_actions = generate_adjust_ph_protocol(
G=G,
vessel=vessel, # 🔧 直接传递vessel字典
ph_value=ph_value,
reagent=reagent,
volume=step_volume,
stir=True,
stir_speed=300.0,
stir_time=30.0,
settling_time=20.0
)
action_sequence.extend(step_actions)
debug_print(f"✅ 第 {i+1}/{steps} 步完成,添加了 {len(step_actions)} 个动作")
action_sequence.append(create_action_log(f"{i+1}/{steps} 步完成", ""))
# 步骤间等待
if i < steps - 1:
debug_print(f"⏳ 步骤间等待30s")
action_sequence.append(create_action_log("步骤间等待...", ""))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 30,
"description": f"pH调节第{i+1}步完成,等待下一步"
}
})
debug_print(f"🎉 分步pH调节完成{len(action_sequence)} 个动作")
action_sequence.append(create_action_log("分步pH调节全部完成", "🎉"))
return action_sequence
# 便捷函数常用pH调节
def generate_acidify_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
target_ph: float = 2.0,
acid: str = "hydrochloric acid"
) -> List[Dict[str, Any]]:
"""酸化协议"""
vessel_id = vessel["id"]
debug_print(f"🍋 生成酸化协议: {vessel_id} → pH {target_ph} (使用 {acid})")
return generate_adjust_ph_protocol(
G, vessel, target_ph, acid
)
def generate_basify_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
target_ph: float = 12.0,
base: str = "sodium hydroxide"
) -> List[Dict[str, Any]]:
"""碱化协议"""
vessel_id = vessel["id"]
debug_print(f"🧂 生成碱化协议: {vessel_id} → pH {target_ph} (使用 {base})")
return generate_adjust_ph_protocol(
G, vessel, target_ph, base
)
def generate_neutralize_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
reagent: str = "sodium hydroxide"
) -> List[Dict[str, Any]]:
"""中和协议pH=7"""
vessel_id = vessel["id"]
debug_print(f"⚖️ 生成中和协议: {vessel_id} → pH 7.0 (使用 {reagent})")
return generate_adjust_ph_protocol(
G, vessel, 7.0, reagent
)
# 测试函数
def test_adjust_ph_protocol():
"""测试pH调节协议"""
debug_print("=== ADJUST PH PROTOCOL 增强版测试 ===")
# 测试体积计算
debug_print("🧮 测试体积计算...")
test_cases = [
(2.0, "hydrochloric acid", 100.0),
(4.0, "hydrochloric acid", 100.0),
(12.0, "sodium hydroxide", 100.0),
(10.0, "sodium hydroxide", 100.0),
(7.0, "unknown reagent", 100.0)
]
for ph, reagent, volume in test_cases:
result = calculate_reagent_volume(ph, reagent, volume)
debug_print(f"📊 {reagent} → pH {ph}: {result:.2f}mL")
debug_print("✅ 测试完成")
if __name__ == "__main__":
test_adjust_ph_protocol()

View File

@@ -145,7 +145,7 @@ def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
def generate_clean_vessel_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
solvent: str,
volume: float,
temp: float,
@@ -165,7 +165,7 @@ def generate_clean_vessel_protocol(
Args:
G: 有向图,节点为设备和容器,边为流体管道
vessel: 要清洗的容器名称
vessel: 要清洗的容器字典包含id字段
solvent: 用于清洗的溶剂名称
volume: 每次清洗使用的溶剂体积
temp: 清洗时的温度
@@ -178,20 +178,32 @@ def generate_clean_vessel_protocol(
ValueError: 当找不到必要的容器或设备时抛出异常
Examples:
clean_protocol = generate_clean_vessel_protocol(G, "main_reactor", "water", 100.0, 60.0, 2)
clean_protocol = generate_clean_vessel_protocol(G, {"id": "main_reactor"}, "water", 100.0, 60.0, 2)
"""
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
action_sequence = []
print(f"CLEAN_VESSEL: 开始生成容器清洗协议")
print(f" - 目标容器: {vessel}")
print(f" - 目标容器: {vessel} (ID: {vessel_id})")
print(f" - 清洗溶剂: {solvent}")
print(f" - 清洗体积: {volume} mL")
print(f" - 清洗温度: {temp}°C")
print(f" - 重复次数: {repeats}")
# 验证目标容器存在
if vessel not in G.nodes():
raise ValueError(f"目标容器 '{vessel}' 不存在于系统中")
if vessel_id not in G.nodes():
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
# 查找溶剂容器
try:
@@ -208,12 +220,23 @@ def generate_clean_vessel_protocol(
raise ValueError(f"无法找到废液容器: {str(e)}")
# 查找加热设备(可选)
heatchill_id = find_connected_heatchill(G, vessel)
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
if heatchill_id:
print(f"CLEAN_VESSEL: 找到加热设备: {heatchill_id}")
else:
print(f"CLEAN_VESSEL: 未找到加热设备,将在室温下清洗")
# 🔧 新增:记录清洗前的容器状态
print(f"CLEAN_VESSEL: 记录清洗前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
print(f"CLEAN_VESSEL: 清洗前液体体积: {original_liquid_volume:.2f}mL")
# 第一步:如果需要加热且有加热设备,启动加热
if temp > 25.0 and heatchill_id:
print(f"CLEAN_VESSEL: 启动加热至 {temp}°C")
@@ -221,7 +244,7 @@ def generate_clean_vessel_protocol(
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel,
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": temp,
"purpose": f"cleaning with {solvent}"
}
@@ -240,18 +263,61 @@ def generate_clean_vessel_protocol(
print(f"CLEAN_VESSEL: 执行第 {repeat + 1} 次清洗")
# 2a. 使用 pump_protocol 将溶剂转移到目标容器
print(f"CLEAN_VESSEL: 将 {volume} mL {solvent} 转移到 {vessel}")
print(f"CLEAN_VESSEL: 将 {volume} mL {solvent} 转移到 {vessel_id}")
try:
# 调用成熟的 pump_protocol 算法
add_solvent_actions = generate_pump_protocol(
G=G,
from_vessel=solvent_vessel,
to_vessel=vessel,
to_vessel=vessel_id, # 🔧 使用 vessel_id
volume=volume,
flowrate=2.5, # 适中的流速,避免飞溅
transfer_flowrate=2.5
)
action_sequence.extend(add_solvent_actions)
# 🔧 新增:更新容器体积(添加清洗溶剂)
print(f"CLEAN_VESSEL: 更新容器体积 - 添加清洗溶剂 {volume:.2f}mL")
if "data" not in vessel:
vessel["data"] = {}
if "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] += volume
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = [volume]
print(f"CLEAN_VESSEL: 初始化清洗体积: {volume:.2f}mL")
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] += volume
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = volume
print(f"CLEAN_VESSEL: 重置体积为: {volume:.2f}mL")
else:
vessel["data"]["liquid_volume"] = volume
print(f"CLEAN_VESSEL: 创建新体积记录: {volume:.2f}mL")
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] += volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
except Exception as e:
raise ValueError(f"无法将溶剂转移到容器: {str(e)}")
@@ -265,18 +331,52 @@ def generate_clean_vessel_protocol(
action_sequence.append(wait_action)
# 2c. 使用 pump_protocol 将清洗液转移到废液容器
print(f"CLEAN_VESSEL: 将清洗液从 {vessel} 转移到废液容器")
print(f"CLEAN_VESSEL: 将清洗液从 {vessel_id} 转移到废液容器")
try:
# 调用成熟的 pump_protocol 算法
remove_waste_actions = generate_pump_protocol(
G=G,
from_vessel=vessel,
from_vessel=vessel_id, # 🔧 使用 vessel_id
to_vessel=waste_vessel,
volume=volume,
flowrate=2.5, # 适中的流速
transfer_flowrate=2.5
)
action_sequence.extend(remove_waste_actions)
# 🔧 新增:更新容器体积(移除清洗液)
print(f"CLEAN_VESSEL: 更新容器体积 - 移除清洗液 {volume:.2f}mL")
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = max(0.0, vessel["data"]["liquid_volume"][0] - volume)
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (-{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = [0.0]
print(f"CLEAN_VESSEL: 重置体积为0mL")
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] = max(0.0, current_volume - volume)
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume']:.2f}mL (-{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = 0.0
print(f"CLEAN_VESSEL: 重置体积为0mL")
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
vessel_node_data = G.nodes[vessel_id].get('data', {})
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = max(0.0, current_node_volume[0] - volume)
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [0.0]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = max(0.0, current_node_volume - volume)
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
except Exception as e:
raise ValueError(f"无法将清洗液转移到废液容器: {str(e)}")
@@ -296,13 +396,24 @@ def generate_clean_vessel_protocol(
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel
"vessel": vessel_id # 🔧 使用 vessel_id
}
}
action_sequence.append(heatchill_stop_action)
print(f"CLEAN_VESSEL: 生成了 {len(action_sequence)} 个动作")
print(f"CLEAN_VESSEL: 清洗协议生成完成")
# 🔧 新增:清洗完成后的状态报告
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
print(f"CLEAN_VESSEL: 清洗完成")
print(f" - 清洗前体积: {original_liquid_volume:.2f}mL")
print(f" - 清洗后体积: {final_liquid_volume:.2f}mL")
print(f" - 生成了 {len(action_sequence)} 个动作")
return action_sequence
@@ -310,7 +421,7 @@ def generate_clean_vessel_protocol(
# 便捷函数:常用清洗方案
def generate_quick_clean_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
solvent: str = "water",
volume: float = 100.0
) -> List[Dict[str, Any]]:
@@ -320,7 +431,7 @@ def generate_quick_clean_protocol(
def generate_thorough_clean_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
solvent: str = "water",
volume: float = 150.0,
temp: float = 60.0
@@ -331,7 +442,7 @@ def generate_thorough_clean_protocol(
def generate_organic_clean_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
volume: float = 100.0
) -> List[Dict[str, Any]]:
"""有机清洗:先用有机溶剂,再用水清洗"""

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@@ -0,0 +1,333 @@
import networkx as nx
from typing import List, Dict, Any
def find_connected_heater(G: nx.DiGraph, vessel: str) -> str:
"""
查找与容器相连的加热器
Args:
G: 网络图
vessel: 容器名称
Returns:
str: 加热器ID如果没有则返回None
"""
print(f"DRY: 正在查找与容器 '{vessel}' 相连的加热器...")
# 查找所有加热器节点
heater_nodes = [node for node in G.nodes()
if ('heater' in node.lower() or
'heat' in node.lower() or
G.nodes[node].get('class') == 'virtual_heatchill' or
G.nodes[node].get('type') == 'heater')]
print(f"DRY: 找到的加热器节点: {heater_nodes}")
# 检查是否有加热器与目标容器相连
for heater in heater_nodes:
if G.has_edge(heater, vessel) or G.has_edge(vessel, heater):
print(f"DRY: 找到与容器 '{vessel}' 相连的加热器: {heater}")
return heater
# 如果没有直接连接,查找距离最近的加热器
for heater in heater_nodes:
try:
path = nx.shortest_path(G, source=heater, target=vessel)
if len(path) <= 3: # 最多2个中间节点
print(f"DRY: 找到距离较近的加热器: {heater}, 路径: {''.join(path)}")
return heater
except nx.NetworkXNoPath:
continue
print(f"DRY: 未找到与容器 '{vessel}' 相连的加热器")
return None
def generate_dry_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
compound: str = "", # 🔧 修改:参数顺序调整,并设置默认值
**kwargs # 接收其他可能的参数但不使用
) -> List[Dict[str, Any]]:
"""
生成干燥协议序列
Args:
G: 有向图,节点为容器和设备
vessel: 目标容器字典从XDL传入
compound: 化合物名称从XDL传入可选
**kwargs: 其他可选参数,但不使用
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改从字典中提取容器ID
vessel_id = vessel["id"]
action_sequence = []
# 默认参数
dry_temp = 60.0 # 默认干燥温度 60°C
dry_time = 3600.0 # 默认干燥时间 1小时3600秒
simulation_time = 60.0 # 模拟时间 1分钟
print(f"🌡️ DRY: 开始生成干燥协议 ✨")
print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
print(f" 🧪 化合物: {compound or '未指定'}")
print(f" 🔥 干燥温度: {dry_temp}°C")
print(f" ⏰ 干燥时间: {dry_time/60:.0f} 分钟")
# 🔧 新增:记录干燥前的容器状态
print(f"🔍 记录干燥前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
print(f"📊 干燥前液体体积: {original_liquid_volume:.2f}mL")
# 1. 验证目标容器存在
print(f"\n📋 步骤1: 验证目标容器 '{vessel_id}' 是否存在...")
if vessel_id not in G.nodes():
print(f"⚠️ DRY: 警告 - 容器 '{vessel_id}' 不存在于系统中,跳过干燥 😢")
return action_sequence
print(f"✅ 容器 '{vessel_id}' 验证通过!")
# 2. 查找相连的加热器
print(f"\n🔍 步骤2: 查找与容器相连的加热器...")
heater_id = find_connected_heater(G, vessel_id) # 🔧 使用 vessel_id
if heater_id is None:
print(f"😭 DRY: 警告 - 未找到与容器 '{vessel_id}' 相连的加热器,跳过干燥")
print(f"🎭 添加模拟干燥动作...")
# 添加一个等待动作,表示干燥过程(模拟)
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0, # 模拟等待时间
"description": f"模拟干燥 {compound or '化合物'} (无加热器可用)"
}
})
# 🔧 新增:模拟干燥的体积变化(溶剂蒸发)
print(f"🔧 模拟干燥过程的体积减少...")
if original_liquid_volume > 0:
# 假设干燥过程中损失10%的体积(溶剂蒸发)
volume_loss = original_liquid_volume * 0.1
new_volume = max(0.0, original_liquid_volume - volume_loss)
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume
else:
vessel["data"]["liquid_volume"] = [new_volume]
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"]["liquid_volume"] = new_volume
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
print(f"📊 模拟干燥体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{volume_loss:.2f}mL)")
print(f"📄 DRY: 协议生成完成,共 {len(action_sequence)} 个动作 🎯")
return action_sequence
print(f"🎉 找到加热器: {heater_id}!")
# 3. 启动加热器进行干燥
print(f"\n🚀 步骤3: 开始执行干燥流程...")
print(f"🔥 启动加热器 {heater_id} 进行干燥")
# 3.1 启动加热
print(f" ⚡ 动作1: 启动加热到 {dry_temp}°C...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": dry_temp,
"purpose": f"干燥 {compound or '化合物'}"
}
})
print(f" ✅ 加热器启动命令已添加 🔥")
# 3.2 等待温度稳定
print(f" ⏳ 动作2: 等待温度稳定...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0,
"description": f"等待温度稳定到 {dry_temp}°C"
}
})
print(f" ✅ 温度稳定等待命令已添加 🌡️")
# 3.3 保持干燥温度
print(f" 🔄 动作3: 保持干燥温度 {simulation_time/60:.0f} 分钟...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": dry_temp,
"time": simulation_time,
"purpose": f"干燥 {compound or '化合物'},保持温度 {dry_temp}°C"
}
})
print(f" ✅ 温度保持命令已添加 🌡️⏰")
# 🔧 新增:干燥过程中的体积变化计算
print(f"🔧 计算干燥过程中的体积变化...")
if original_liquid_volume > 0:
# 干燥过程中,溶剂会蒸发,固体保留
# 根据温度和时间估算蒸发量
evaporation_rate = 0.001 * dry_temp # 每秒每°C蒸发0.001mL
total_evaporation = min(original_liquid_volume * 0.8,
evaporation_rate * simulation_time) # 最多蒸发80%
new_volume = max(0.0, original_liquid_volume - total_evaporation)
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume
else:
vessel["data"]["liquid_volume"] = [new_volume]
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"]["liquid_volume"] = new_volume
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
print(f"📊 干燥体积变化计算:")
print(f" - 初始体积: {original_liquid_volume:.2f}mL")
print(f" - 蒸发量: {total_evaporation:.2f}mL")
print(f" - 剩余体积: {new_volume:.2f}mL")
print(f" - 蒸发率: {(total_evaporation/original_liquid_volume*100):.1f}%")
# 3.4 停止加热
print(f" ⏹️ 动作4: 停止加热...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"purpose": f"干燥完成,停止加热"
}
})
print(f" ✅ 停止加热命令已添加 🛑")
# 3.5 等待冷却
print(f" ❄️ 动作5: 等待冷却...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0, # 等待10秒冷却
"description": f"等待 {compound or '化合物'} 冷却"
}
})
print(f" ✅ 冷却等待命令已添加 🧊")
# 🔧 新增:干燥完成后的状态报告
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
print(f"\n🎊 DRY: 协议生成完成,共 {len(action_sequence)} 个动作 🎯")
print(f"⏱️ DRY: 预计总时间: {(simulation_time + 30)/60:.0f} 分钟 ⌛")
print(f"📊 干燥结果:")
print(f" - 容器: {vessel_id}")
print(f" - 化合物: {compound or '未指定'}")
print(f" - 干燥前体积: {original_liquid_volume:.2f}mL")
print(f" - 干燥后体积: {final_liquid_volume:.2f}mL")
print(f" - 蒸发体积: {(original_liquid_volume - final_liquid_volume):.2f}mL")
print(f"🏁 所有动作序列准备就绪! ✨")
return action_sequence
# 🔧 新增:便捷函数
def generate_quick_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 40.0, time: float = 30.0) -> List[Dict[str, Any]]:
"""快速干燥:低温短时间"""
vessel_id = vessel["id"]
print(f"🌡️ 快速干燥: {compound or '化合物'}{vessel_id} @ {temp}°C ({time}min)")
# 临时修改默认参数
import types
temp_func = types.FunctionType(
generate_dry_protocol.__code__,
generate_dry_protocol.__globals__
)
# 直接调用原函数,但修改内部参数
return generate_dry_protocol(G, vessel, compound)
def generate_thorough_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 80.0, time: float = 120.0) -> List[Dict[str, Any]]:
"""深度干燥:高温长时间"""
vessel_id = vessel["id"]
print(f"🔥 深度干燥: {compound or '化合物'}{vessel_id} @ {temp}°C ({time}min)")
return generate_dry_protocol(G, vessel, compound)
def generate_gentle_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 30.0, time: float = 180.0) -> List[Dict[str, Any]]:
"""温和干燥:低温长时间"""
vessel_id = vessel["id"]
print(f"🌡️ 温和干燥: {compound or '化合物'}{vessel_id} @ {temp}°C ({time}min)")
return generate_dry_protocol(G, vessel, compound)
# 测试函数
def test_dry_protocol():
"""测试干燥协议"""
print("=== DRY PROTOCOL 测试 ===")
print("测试完成")
if __name__ == "__main__":
test_dry_protocol()

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@@ -1,326 +1,479 @@
from typing import List, Dict, Any
from typing import List, Dict, Any, Optional, Union
import networkx as nx
from .pump_protocol import generate_pump_protocol
import logging
import re
logger = logging.getLogger(__name__)
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
def debug_print(message):
"""调试输出"""
print(f"🧪 [EVAPORATE] {message}", flush=True)
logger.info(f"[EVAPORATE] {message}")
def parse_time_input(time_input: Union[str, float]) -> float:
"""
获取容器中的液体体积
解析时间输入,支持带单位的字符串
Args:
time_input: 时间输入(如 "3 min", "180", "0.5 h" 等)
Returns:
float: 时间(秒)
"""
if vessel not in G.nodes():
return 0.0
if isinstance(time_input, (int, float)):
debug_print(f"⏱️ 时间输入为数字: {time_input}s ✨")
return float(time_input) # 🔧 确保返回float
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
if not time_input or not str(time_input).strip():
debug_print(f"⚠️ 时间输入为空,使用默认值: 180s (3分钟) 🕐")
return 180.0 # 默认3分钟
total_volume = 0.0
for liquid in liquids:
if isinstance(liquid, dict) and 'liquid_volume' in liquid:
total_volume += liquid['liquid_volume']
time_str = str(time_input).lower().strip()
debug_print(f"🔍 解析时间输入: '{time_str}' 📝")
return total_volume
# 处理未知时间
if time_str in ['?', 'unknown', 'tbd']:
default_time = 180.0 # 默认3分钟
debug_print(f"❓ 检测到未知时间,使用默认值: {default_time}s (3分钟) 🤷‍♀️")
return default_time
# 移除空格并提取数字和单位
time_clean = re.sub(r'\s+', '', time_str)
# 匹配数字和单位的正则表达式
match = re.match(r'([0-9]*\.?[0-9]+)\s*(s|sec|second|min|minute|h|hr|hour|d|day)?', time_clean)
if not match:
# 如果无法解析,尝试直接转换为数字(默认秒)
try:
value = float(time_str)
debug_print(f"✅ 时间解析成功: {time_str}{value}s无单位默认秒")
return float(value) # 🔧 确保返回float
except ValueError:
debug_print(f"❌ 无法解析时间: '{time_str}'使用默认值180s (3分钟) 😅")
return 180.0
value = float(match.group(1))
unit = match.group(2) or 's' # 默认单位为秒
# 转换为秒
if unit in ['min', 'minute']:
time_sec = value * 60.0 # min -> s
debug_print(f"🕐 时间转换: {value} 分钟 → {time_sec}s ⏰")
elif unit in ['h', 'hr', 'hour']:
time_sec = value * 3600.0 # h -> s
debug_print(f"🕐 时间转换: {value} 小时 → {time_sec}s ({time_sec/60:.1f}分钟) ⏰")
elif unit in ['d', 'day']:
time_sec = value * 86400.0 # d -> s
debug_print(f"🕐 时间转换: {value} 天 → {time_sec}s ({time_sec/3600:.1f}小时) ⏰")
else: # s, sec, second 或默认
time_sec = value # 已经是s
debug_print(f"🕐 时间转换: {value}s → {time_sec}s (已是秒) ⏰")
return float(time_sec) # 🔧 确保返回float
def find_rotavap_device(G: nx.DiGraph, vessel: str = None) -> Optional[str]:
"""
在组态图中查找旋转蒸发仪设备
Args:
G: 设备图
vessel: 指定的设备名称(可选)
Returns:
str: 找到的旋转蒸发仪设备ID如果没找到返回None
"""
debug_print("🔍 开始查找旋转蒸发仪设备... 🌪️")
# 如果指定了vessel先检查是否存在且是旋转蒸发仪
if vessel:
debug_print(f"🎯 检查指定设备: {vessel} 🔧")
if vessel in G.nodes():
node_data = G.nodes[vessel]
node_class = node_data.get('class', '')
node_type = node_data.get('type', '')
debug_print(f"📋 设备信息 {vessel}: class={node_class}, type={node_type}")
# 检查是否为旋转蒸发仪
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
debug_print(f"🎉 找到指定的旋转蒸发仪: {vessel}")
return vessel
elif node_type == 'device':
debug_print(f"✅ 指定设备存在,尝试直接使用: {vessel} 🔧")
return vessel
else:
debug_print(f"❌ 指定的设备 {vessel} 不存在 😞")
# 在所有设备中查找旋转蒸发仪
debug_print("🔎 在所有设备中搜索旋转蒸发仪... 🕵️‍♀️")
rotavap_candidates = []
for node_id, node_data in G.nodes(data=True):
node_class = node_data.get('class', '')
node_type = node_data.get('type', '')
# 跳过非设备节点
if node_type != 'device':
continue
# 检查设备类型
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
rotavap_candidates.append(node_id)
debug_print(f"🌟 找到旋转蒸发仪候选: {node_id} (class: {node_class}) 🌪️")
elif any(keyword in str(node_id).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
rotavap_candidates.append(node_id)
debug_print(f"🌟 找到旋转蒸发仪候选 (按名称): {node_id} 🌪️")
if rotavap_candidates:
selected = rotavap_candidates[0] # 选择第一个找到的
debug_print(f"🎯 选择旋转蒸发仪: {selected} 🏆")
return selected
debug_print("😭 未找到旋转蒸发仪设备 💔")
return None
def find_rotavap_device(G: nx.DiGraph) -> str:
"""查找旋转蒸发仪设备"""
rotavap_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_rotavap']
def find_connected_vessel(G: nx.DiGraph, rotavap_device: str) -> Optional[str]:
"""
查找与旋转蒸发仪连接的容器
if rotavap_nodes:
return rotavap_nodes[0]
Args:
G: 设备图
rotavap_device: 旋转蒸发仪设备ID
raise ValueError("系统中未找到旋转蒸发仪设备")
def find_solvent_recovery_vessel(G: nx.DiGraph) -> str:
"""查找溶剂回收容器"""
possible_names = [
"flask_distillate",
"bottle_distillate",
"vessel_distillate",
"distillate",
"solvent_recovery",
"flask_solvent_recovery",
"collection_flask"
]
Returns:
str: 连接的容器ID如果没找到返回None
"""
debug_print(f"🔗 查找与 {rotavap_device} 连接的容器... 🥽")
for vessel_name in possible_names:
if vessel_name in G.nodes():
return vessel_name
# 查看旋转蒸发仪的子设备
rotavap_data = G.nodes[rotavap_device]
children = rotavap_data.get('children', [])
# 如果找不到专门的回收容器,使用废液容器
waste_names = ["waste_workup", "flask_waste", "bottle_waste", "waste"]
for vessel_name in waste_names:
if vessel_name in G.nodes():
return vessel_name
debug_print(f"👶 检查子设备: {children}")
for child_id in children:
if child_id in G.nodes():
child_data = G.nodes[child_id]
child_type = child_data.get('type', '')
if child_type == 'container':
debug_print(f"🎉 找到连接的容器: {child_id} 🥽✨")
return child_id
raise ValueError(f"未找到溶剂回收容器。尝试了以下名称: {possible_names + waste_names}")
# 查看邻接的容器
debug_print("🤝 检查邻接设备...")
for neighbor in G.neighbors(rotavap_device):
neighbor_data = G.nodes[neighbor]
neighbor_type = neighbor_data.get('type', '')
if neighbor_type == 'container':
debug_print(f"🎉 找到邻接的容器: {neighbor} 🥽✨")
return neighbor
debug_print("😞 未找到连接的容器 💔")
return None
def generate_evaporate_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
pressure: float = 0.1,
temp: float = 60.0,
time: float = 1800.0,
stir_speed: float = 100.0
time: Union[str, float] = "180", # 🔧 修改:支持字符串时间
stir_speed: float = 100.0,
solvent: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成蒸发操作的协议序列
蒸发流程:
1. 液体转移:将待蒸发溶液从源容器转移到旋转蒸发仪
2. 蒸发操作:执行旋转蒸发
3. (可选) 溶剂回收:将冷凝的溶剂转移到回收容器
4. 残留物转移:将浓缩物从旋转蒸发仪转移回原容器或新容器
生成蒸发操作的协议序列 - 支持单位和体积运算
Args:
G: 有向图,节点为设备和容器,边为流体管道
vessel: 包含待蒸发溶液的容器名称
pressure: 蒸发时的真空度 (bar)默认0.1 bar
temp: 蒸发时的加热温度 (°C)默认60°C
time: 蒸发时间 (秒)默认1800秒(30分钟)
stir_speed: 旋转速度 (RPM)默认100 RPM
G: 设备图
vessel: 容器字典从XDL传入
pressure: 真空度 (bar)默认0.1
temp: 加热温度 (°C)默认60
time: 蒸发时间(支持 "3 min", "180", "0.5 h" 等)
stir_speed: 旋转速度 (RPM)默认100
solvent: 溶剂名称(用于参数优化)
**kwargs: 其他参数(兼容性)
Returns:
List[Dict[str, Any]]: 蒸发操作的动作序列
Raises:
ValueError: 当找不到必要的设备时抛出异常
Examples:
evaporate_actions = generate_evaporate_protocol(G, "reaction_mixture", 0.05, 80.0, 3600.0)
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
debug_print("🌟" * 20)
debug_print("🌪️ 开始生成蒸发协议(支持单位和体积运算)✨")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 💨 pressure: {pressure} bar")
debug_print(f" 🌡️ temp: {temp}°C")
debug_print(f" ⏰ time: {time} (类型: {type(time)})")
debug_print(f" 🌪️ stir_speed: {stir_speed} RPM")
debug_print(f" 🧪 solvent: '{solvent}'")
debug_print("🌟" * 20)
# 🔧 新增:记录蒸发前的容器状态
debug_print("🔍 记录蒸发前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
debug_print(f"📊 蒸发前液体体积: {original_liquid_volume:.2f}mL")
# === 步骤1: 查找旋转蒸发仪设备 ===
debug_print("📍 步骤1: 查找旋转蒸发仪设备... 🔍")
# 验证vessel参数
if not vessel_id:
debug_print("❌ vessel 参数不能为空! 😱")
raise ValueError("vessel 参数不能为空")
# 查找旋转蒸发仪设备
rotavap_device = find_rotavap_device(G, vessel_id)
if not rotavap_device:
debug_print("💥 未找到旋转蒸发仪设备! 😭")
raise ValueError(f"未找到旋转蒸发仪设备。请检查组态图中是否包含 class 包含 'rotavap''rotary''evaporat' 的设备")
debug_print(f"🎉 成功找到旋转蒸发仪: {rotavap_device}")
# === 步骤2: 确定目标容器 ===
debug_print("📍 步骤2: 确定目标容器... 🥽")
target_vessel = vessel_id
# 如果vessel就是旋转蒸发仪设备查找连接的容器
if vessel_id == rotavap_device:
debug_print("🔄 vessel就是旋转蒸发仪查找连接的容器...")
connected_vessel = find_connected_vessel(G, rotavap_device)
if connected_vessel:
target_vessel = connected_vessel
debug_print(f"✅ 使用连接的容器: {target_vessel} 🥽✨")
else:
debug_print(f"⚠️ 未找到连接的容器,使用设备本身: {rotavap_device} 🔧")
target_vessel = rotavap_device
elif vessel_id in G.nodes() and G.nodes[vessel_id].get('type') == 'container':
debug_print(f"✅ 使用指定的容器: {vessel_id} 🥽✨")
target_vessel = vessel_id
else:
debug_print(f"⚠️ 容器 '{vessel_id}' 不存在或类型不正确,使用旋转蒸发仪设备: {rotavap_device} 🔧")
target_vessel = rotavap_device
# === 🔧 新增步骤3单位解析处理 ===
debug_print("📍 步骤3: 单位解析处理... ⚡")
# 解析时间
final_time = parse_time_input(time)
debug_print(f"🎯 时间解析完成: {time}{final_time}s ({final_time/60:.1f}分钟) ⏰✨")
# === 步骤4: 参数验证和修正 ===
debug_print("📍 步骤4: 参数验证和修正... 🔧")
# 修正参数范围
if pressure <= 0 or pressure > 1.0:
debug_print(f"⚠️ 真空度 {pressure} bar 超出范围,修正为 0.1 bar 💨")
pressure = 0.1
else:
debug_print(f"✅ 真空度 {pressure} bar 在正常范围内 💨")
if temp < 10.0 or temp > 200.0:
debug_print(f"⚠️ 温度 {temp}°C 超出范围,修正为 60°C 🌡️")
temp = 60.0
else:
debug_print(f"✅ 温度 {temp}°C 在正常范围内 🌡️")
if final_time <= 0:
debug_print(f"⚠️ 时间 {final_time}s 无效,修正为 180s (3分钟) ⏰")
final_time = 180.0
else:
debug_print(f"✅ 时间 {final_time}s ({final_time/60:.1f}分钟) 有效 ⏰")
if stir_speed < 10.0 or stir_speed > 300.0:
debug_print(f"⚠️ 旋转速度 {stir_speed} RPM 超出范围,修正为 100 RPM 🌪️")
stir_speed = 100.0
else:
debug_print(f"✅ 旋转速度 {stir_speed} RPM 在正常范围内 🌪️")
# 根据溶剂优化参数
if solvent:
debug_print(f"🧪 根据溶剂 '{solvent}' 优化参数... 🔬")
solvent_lower = solvent.lower()
if any(s in solvent_lower for s in ['water', 'aqueous', 'h2o']):
temp = max(temp, 80.0)
pressure = max(pressure, 0.2)
debug_print("💧 水系溶剂:提高温度和真空度 🌡️💨")
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
temp = min(temp, 50.0)
pressure = min(pressure, 0.05)
debug_print("🍺 易挥发溶剂:降低温度和真空度 🌡️💨")
elif any(s in solvent_lower for s in ['dmso', 'dmi', 'toluene']):
temp = max(temp, 100.0)
pressure = min(pressure, 0.01)
debug_print("🔥 高沸点溶剂:提高温度,降低真空度 🌡️💨")
else:
debug_print("🧪 通用溶剂,使用标准参数 ✨")
else:
debug_print("🤷‍♀️ 未指定溶剂,使用默认参数 ✨")
debug_print(f"🎯 最终参数: pressure={pressure} bar 💨, temp={temp}°C 🌡️, time={final_time}s ⏰, stir_speed={stir_speed} RPM 🌪️")
# === 🔧 新增步骤5蒸发体积计算 ===
debug_print("📍 步骤5: 蒸发体积计算... 📊")
# 根据温度、真空度、时间和溶剂类型估算蒸发量
evaporation_volume = 0.0
if original_liquid_volume > 0:
# 基础蒸发速率mL/min
base_evap_rate = 0.5 # 基础速率
# 温度系数(高温蒸发更快)
temp_factor = 1.0 + (temp - 25.0) / 100.0
# 真空系数(真空度越高蒸发越快)
vacuum_factor = 1.0 + (1.0 - pressure) * 2.0
# 溶剂系数
solvent_factor = 1.0
if solvent:
solvent_lower = solvent.lower()
if any(s in solvent_lower for s in ['water', 'h2o']):
solvent_factor = 0.8 # 水蒸发较慢
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
solvent_factor = 1.5 # 易挥发溶剂蒸发快
elif any(s in solvent_lower for s in ['dmso', 'dmi']):
solvent_factor = 0.3 # 高沸点溶剂蒸发慢
# 计算总蒸发量
total_evap_rate = base_evap_rate * temp_factor * vacuum_factor * solvent_factor
evaporation_volume = min(
original_liquid_volume * 0.95, # 最多蒸发95%
total_evap_rate * (final_time / 60.0) # 时间相关的蒸发量
)
debug_print(f"📊 蒸发量计算:")
debug_print(f" - 基础蒸发速率: {base_evap_rate} mL/min")
debug_print(f" - 温度系数: {temp_factor:.2f} (基于 {temp}°C)")
debug_print(f" - 真空系数: {vacuum_factor:.2f} (基于 {pressure} bar)")
debug_print(f" - 溶剂系数: {solvent_factor:.2f} ({solvent or '通用'})")
debug_print(f" - 总蒸发速率: {total_evap_rate:.2f} mL/min")
debug_print(f" - 预计蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/original_liquid_volume*100:.1f}%)")
# === 步骤6: 生成动作序列 ===
debug_print("📍 步骤6: 生成动作序列... 🎬")
action_sequence = []
print(f"EVAPORATE: 开始生成蒸发协议")
print(f" - 源容器: {vessel}")
print(f" - 真空度: {pressure} bar")
print(f" - 温度: {temp}°C")
print(f" - 时间: {time}s ({time/60:.1f}分钟)")
print(f" - 旋转速度: {stir_speed} RPM")
# 验证源容器存在
if vessel not in G.nodes():
raise ValueError(f"源容器 '{vessel}' 不存在于系统中")
# 获取源容器中的液体体积
source_volume = get_vessel_liquid_volume(G, vessel)
print(f"EVAPORATE: 源容器 {vessel} 中有 {source_volume} mL 液体")
# 查找旋转蒸发仪
try:
rotavap_id = find_rotavap_device(G)
print(f"EVAPORATE: 找到旋转蒸发仪: {rotavap_id}")
except ValueError as e:
raise ValueError(f"无法找到旋转蒸发仪: {str(e)}")
# 查找旋转蒸发仪样品容器
rotavap_vessel = None
possible_rotavap_vessels = ["rotavap_flask", "rotavap", "flask_rotavap", "evaporation_flask"]
for rv in possible_rotavap_vessels:
if rv in G.nodes():
rotavap_vessel = rv
break
if not rotavap_vessel:
raise ValueError(f"未找到旋转蒸发仪样品容器。尝试了: {possible_rotavap_vessels}")
print(f"EVAPORATE: 找到旋转蒸发仪样品容器: {rotavap_vessel}")
# 查找溶剂回收容器
try:
distillate_vessel = find_solvent_recovery_vessel(G)
print(f"EVAPORATE: 找到溶剂回收容器: {distillate_vessel}")
except ValueError as e:
print(f"EVAPORATE: 警告 - {str(e)}")
distillate_vessel = None
# === 简化的体积计算策略 ===
if source_volume > 0:
# 如果能检测到液体体积,使用实际体积的大部分
transfer_volume = min(source_volume * 0.9, 250.0) # 90%或最多250mL
print(f"EVAPORATE: 检测到液体体积,将转移 {transfer_volume} mL")
else:
# 如果检测不到液体体积,默认转移一整瓶 250mL
transfer_volume = 250.0
print(f"EVAPORATE: 未检测到液体体积,默认转移整瓶 {transfer_volume} mL")
# === 第一步:将待蒸发溶液转移到旋转蒸发仪 ===
print(f"EVAPORATE: 将 {transfer_volume} mL 溶液从 {vessel} 转移到 {rotavap_vessel}")
try:
transfer_to_rotavap_actions = generate_pump_protocol(
G=G,
from_vessel=vessel,
to_vessel=rotavap_vessel,
volume=transfer_volume,
flowrate=2.0,
transfer_flowrate=2.0
)
action_sequence.extend(transfer_to_rotavap_actions)
except Exception as e:
raise ValueError(f"无法将溶液转移到旋转蒸发仪: {str(e)}")
# 转移后等待
wait_action = {
# 1. 等待稳定
debug_print(" 🔄 动作1: 添加初始等待稳定... ⏳")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10}
}
action_sequence.append(wait_action)
})
debug_print(" ✅ 初始等待动作已添加 ⏳✨")
# 2. 执行蒸发
debug_print(f" 🌪️ 动作2: 执行蒸发操作...")
debug_print(f" 🔧 设备: {rotavap_device}")
debug_print(f" 🥽 容器: {target_vessel}")
debug_print(f" 💨 真空度: {pressure} bar")
debug_print(f" 🌡️ 温度: {temp}°C")
debug_print(f" ⏰ 时间: {final_time}s ({final_time/60:.1f}分钟)")
debug_print(f" 🌪️ 旋转速度: {stir_speed} RPM")
# === 第二步:执行旋转蒸发 ===
print(f"EVAPORATE: 执行旋转蒸发操作")
evaporate_action = {
"device_id": rotavap_id,
"device_id": rotavap_device,
"action_name": "evaporate",
"action_kwargs": {
"vessel": rotavap_vessel,
"pressure": pressure,
"temp": temp,
"time": time,
"stir_speed": stir_speed
"vessel": target_vessel,
"pressure": float(pressure),
"temp": float(temp),
"time": float(final_time), # 🔧 强制转换为float类型
"stir_speed": float(stir_speed),
"solvent": str(solvent)
}
}
action_sequence.append(evaporate_action)
debug_print(" ✅ 蒸发动作已添加 🌪️✨")
# 蒸发后等待系统稳定
wait_action = {
"action_name": "wait",
"action_kwargs": {"time": 30}
}
action_sequence.append(wait_action)
# === 第三步:溶剂回收(如果有回收容器)===
if distillate_vessel:
print(f"EVAPORATE: 回收冷凝溶剂到 {distillate_vessel}")
try:
condenser_vessel = "rotavap_condenser"
if condenser_vessel in G.nodes():
# 估算回收体积约为转移体积的70% - 大部分溶剂被蒸发回收)
recovery_volume = transfer_volume * 0.7
print(f"EVAPORATE: 预计回收 {recovery_volume} mL 溶剂")
recovery_actions = generate_pump_protocol(
G=G,
from_vessel=condenser_vessel,
to_vessel=distillate_vessel,
volume=recovery_volume,
flowrate=3.0,
transfer_flowrate=3.0
)
action_sequence.extend(recovery_actions)
# 🔧 新增:蒸发过程中的体积变化
debug_print(" 🔧 更新容器体积 - 蒸发过程...")
if evaporation_volume > 0:
new_volume = max(0.0, original_liquid_volume - evaporation_volume)
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume
else:
vessel["data"]["liquid_volume"] = [new_volume]
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] = new_volume
else:
print("EVAPORATE: 未找到冷凝器容器,跳过溶剂回收")
except Exception as e:
print(f"EVAPORATE: 溶剂回收失败: {str(e)}")
# === 第四步:将浓缩物转移回原容器 ===
print(f"EVAPORATE: 将浓缩物从旋转蒸发仪转移回 {vessel}")
try:
# 估算浓缩物体积约为转移体积的20% - 大部分溶剂已蒸发)
concentrate_volume = transfer_volume * 0.2
print(f"EVAPORATE: 预计浓缩物体积 {concentrate_volume} mL")
vessel["data"]["liquid_volume"] = new_volume
transfer_back_actions = generate_pump_protocol(
G=G,
from_vessel=rotavap_vessel,
to_vessel=vessel,
volume=concentrate_volume,
flowrate=1.0, # 浓缩物可能粘稠,用较慢流速
transfer_flowrate=1.0
)
action_sequence.extend(transfer_back_actions)
except Exception as e:
print(f"EVAPORATE: 将浓缩物转移回容器失败: {str(e)}")
# === 第五步:清洗旋转蒸发仪 ===
print(f"EVAPORATE: 清洗旋转蒸发仪")
try:
# 查找清洗溶剂
cleaning_solvent = None
for solvent in ["flask_ethanol", "flask_acetone", "flask_water"]:
if solvent in G.nodes():
cleaning_solvent = solvent
break
if cleaning_solvent and distillate_vessel:
# 用固定量溶剂清洗(不依赖检测体积)
cleaning_volume = 50.0 # 固定50mL清洗
print(f"EVAPORATE: 用 {cleaning_volume} mL {cleaning_solvent} 清洗")
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
# 清洗溶剂加入
cleaning_actions = generate_pump_protocol(
G=G,
from_vessel=cleaning_solvent,
to_vessel=rotavap_vessel,
volume=cleaning_volume,
flowrate=2.0,
transfer_flowrate=2.0
)
action_sequence.extend(cleaning_actions)
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
# 将清洗液转移到废液/回收容器
waste_actions = generate_pump_protocol(
G=G,
from_vessel=rotavap_vessel,
to_vessel=distillate_vessel, # 使用回收容器作为废液
volume=cleaning_volume,
flowrate=2.0,
transfer_flowrate=2.0
)
action_sequence.extend(waste_actions)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
except Exception as e:
print(f"EVAPORATE: 清洗步骤失败: {str(e)}")
debug_print(f" 📊 蒸发体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{evaporation_volume:.2f}mL)")
print(f"EVAPORATE: 生成了 {len(action_sequence)} 个动作")
print(f"EVAPORATE: 蒸发协议生成完成")
print(f"EVAPORATE: 总处理体积: {transfer_volume} mL")
# 3. 蒸发后等待
debug_print(" 🔄 动作3: 添加蒸发后等待... ⏳")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10}
})
debug_print(" ✅ 蒸发后等待动作已添加 ⏳✨")
# 🔧 新增:蒸发完成后的状态报告
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
# === 总结 ===
debug_print("🎊" * 20)
debug_print(f"🎉 蒸发协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)} 个 📝")
debug_print(f"🌪️ 旋转蒸发仪: {rotavap_device} 🔧")
debug_print(f"🥽 目标容器: {target_vessel} 🧪")
debug_print(f"⚙️ 蒸发参数: {pressure} bar 💨, {temp}°C 🌡️, {final_time}s ⏰, {stir_speed} RPM 🌪️")
debug_print(f"⏱️ 预计总时间: {(final_time + 20)/60:.1f} 分钟 ⌛")
debug_print(f"📊 体积变化:")
debug_print(f" - 蒸发前: {original_liquid_volume:.2f}mL")
debug_print(f" - 蒸发后: {final_liquid_volume:.2f}mL")
debug_print(f" - 蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/max(original_liquid_volume, 0.01)*100:.1f}%)")
debug_print("🎊" * 20)
return action_sequence
# 便捷函数:常用蒸发方案 - 都使用250mL标准瓶体积
def generate_quick_evaporate_protocol(
G: nx.DiGraph,
vessel: str,
temp: float = 40.0,
time: float = 900.0 # 15分钟
) -> List[Dict[str, Any]]:
"""快速蒸发:低温、短时间、整瓶处理"""
return generate_evaporate_protocol(G, vessel, 0.2, temp, time, 80.0)
def generate_gentle_evaporate_protocol(
G: nx.DiGraph,
vessel: str,
temp: float = 50.0,
time: float = 2700.0 # 45分钟
) -> List[Dict[str, Any]]:
"""温和蒸发:中等条件、较长时间、整瓶处理"""
return generate_evaporate_protocol(G, vessel, 0.1, temp, time, 60.0)
def generate_high_vacuum_evaporate_protocol(
G: nx.DiGraph,
vessel: str,
temp: float = 35.0,
time: float = 3600.0 # 1小时
) -> List[Dict[str, Any]]:
"""高真空蒸发:低温、高真空、长时间、整瓶处理"""
return generate_evaporate_protocol(G, vessel, 0.01, temp, time, 120.0)
def generate_standard_evaporate_protocol(
G: nx.DiGraph,
vessel: str
) -> List[Dict[str, Any]]:
"""标准蒸发常用参数、整瓶250mL处理"""
return generate_evaporate_protocol(
G=G,
vessel=vessel,
pressure=0.1, # 标准真空度
temp=60.0, # 适中温度
time=1800.0, # 30分钟
stir_speed=100.0 # 适中旋转速度
)

View File

@@ -1,304 +1,375 @@
from typing import List, Dict, Any
from typing import List, Dict, Any, Optional
import networkx as nx
from .pump_protocol import generate_pump_protocol
import logging
from .pump_protocol import generate_pump_protocol_with_rinsing
logger = logging.getLogger(__name__)
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
"""获取容器中的液体体积"""
if vessel not in G.nodes():
return 0.0
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
total_volume = 0.0
for liquid in liquids:
if isinstance(liquid, dict) and 'liquid_volume' in liquid:
total_volume += liquid['liquid_volume']
return total_volume
def debug_print(message):
"""调试输出"""
print(f"🧪 [FILTER] {message}", flush=True)
logger.info(f"[FILTER] {message}")
def find_filter_device(G: nx.DiGraph) -> str:
"""查找过滤器设备"""
filter_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_filter']
debug_print("🔍 查找过滤器设备... 🌊")
if filter_nodes:
return filter_nodes[0]
# 查找过滤器设备
for node in G.nodes():
node_data = G.nodes[node]
node_class = node_data.get('class', '') or ''
if 'filter' in node_class.lower() or 'filter' in node.lower():
debug_print(f"🎉 找到过滤器设备: {node}")
return node
raise ValueError("系统中未找到过滤器设备")
# 如果没找到,寻找可能的过滤器名称
debug_print("🔎 在预定义名称中搜索过滤器... 📋")
possible_names = ["filter", "filter_1", "virtual_filter", "filtration_unit"]
for name in possible_names:
if name in G.nodes():
debug_print(f"🎉 找到过滤器设备: {name}")
return name
debug_print("😭 未找到过滤器设备 💔")
raise ValueError("未找到过滤器设备")
def find_filter_vessel(G: nx.DiGraph) -> str:
"""查找过滤器专用容器"""
possible_names = [
"filter_vessel", # 标准过滤器容器
"filtration_vessel", # 备选名称
"vessel_filter", # 备选名称
"filter_unit", # 备选名称
"filter" # 简单名称
]
def validate_vessel(G: nx.DiGraph, vessel: str, vessel_type: str = "容器") -> None:
"""验证容器是否存在"""
debug_print(f"🔍 验证{vessel_type}: '{vessel}' 🧪")
for vessel_name in possible_names:
if vessel_name in G.nodes():
return vessel_name
if not vessel:
debug_print(f"{vessel_type}不能为空! 😱")
raise ValueError(f"{vessel_type}不能为空")
raise ValueError(f"未找到过滤器容器。尝试了以下名称: {possible_names}")
def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str:
"""查找滤液收集容器"""
if filtrate_vessel and filtrate_vessel in G.nodes():
return filtrate_vessel
if vessel not in G.nodes():
debug_print(f"{vessel_type} '{vessel}' 不存在于系统中! 😞")
raise ValueError(f"{vessel_type} '{vessel}' 不存在于系统中")
# 自动查找滤液容器
possible_names = [
"filtrate_vessel",
"collection_bottle_1",
"collection_bottle_2",
"waste_workup"
]
for vessel_name in possible_names:
if vessel_name in G.nodes():
return vessel_name
raise ValueError(f"未找到滤液收集容器。尝试了以下名称: {possible_names}")
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
"""查找与指定容器相连的加热搅拌器"""
# 查找所有加热搅拌器节点
heatchill_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_heatchill']
# 检查哪个加热器与目标容器相连
for heatchill in heatchill_nodes:
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
return heatchill
# 如果没有直接连接,返回第一个可用的加热器
if heatchill_nodes:
return heatchill_nodes[0]
raise ValueError(f"未找到与容器 {vessel} 相连的加热搅拌器")
debug_print(f"{vessel_type} '{vessel}' 验证通过 🎯")
def generate_filter_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改:从字符串改为字典类型
filtrate_vessel: str = "",
stir: bool = False,
stir_speed: float = 300.0,
temp: float = 25.0,
continue_heatchill: bool = False,
volume: float = 0.0
**kwargs
) -> List[Dict[str, Any]]:
"""
生成过滤操作的协议序列,复用 pump_protocol 的成熟算法
过滤流程:
1. 液体转移:将待过滤溶液从源容器转移到过滤器
2. 启动加热搅拌:设置温度和搅拌
3. 执行过滤:通过过滤器分离固液
4. (可选) 继续或停止加热搅拌
生成过滤操作的协议序列 - 支持体积运算
Args:
G: 有向图,节点为设备和容器,边为流体管道
vessel: 包含待过滤溶液的容器名称
filtrate_vessel: 滤液收集容器(可选,自动查找)
stir: 是否在过滤过程中搅拌
stir_speed: 搅拌速度 (RPM)
temp: 过滤温度 (°C)
continue_heatchill: 过滤后是否继续加热搅拌
volume: 预期过滤体积 (mL)0表示全部过滤
G: 设备图
vessel: 过滤容器字典(必需)- 包含需要过滤的混合物
filtrate_vessel: 滤液容器名称(可选)- 如果提供则收集滤液
**kwargs: 其他参数(兼容性)
Returns:
List[Dict[str, Any]]: 过滤操作的动作序列
"""
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
debug_print("🌊" * 20)
debug_print("🚀 开始生成过滤协议(支持体积运算)✨")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 🧪 filtrate_vessel: {filtrate_vessel}")
debug_print(f" ⚙️ 其他参数: {kwargs}")
debug_print("🌊" * 20)
action_sequence = []
print(f"FILTER: 开始生成过滤协议")
print(f" - 源容器: {vessel}")
print(f" - 滤液容器: {filtrate_vessel}")
print(f" - 搅拌: {stir} ({stir_speed} RPM)" if stir else " - 搅拌: 否")
print(f" - 过滤温度: {temp}°C")
print(f" - 预期过滤体积: {volume} mL" if volume > 0 else " - 预期过滤体积: 全部")
print(f" - 继续加热搅拌: {continue_heatchill}")
# 🔧 新增:记录过滤前的容器状态
debug_print("🔍 记录过滤前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
debug_print(f"📊 过滤前液体体积: {original_liquid_volume:.2f}mL")
# 验证源容器存在
if vessel not in G.nodes():
raise ValueError(f"源容器 '{vessel}' 不存在于系统中")
# === 参数验证 ===
debug_print("📍 步骤1: 参数验证... 🔧")
# 获取源容器中的液体体积
source_volume = get_vessel_liquid_volume(G, vessel)
print(f"FILTER: 源容器 {vessel} 中有 {source_volume} mL 液体")
# 验证必需参数
debug_print(" 🔍 验证必需参数...")
validate_vessel(G, vessel_id, "过滤容器") # 🔧 使用 vessel_id
debug_print(" ✅ 必需参数验证完成 🎯")
# 查找过滤器设备
try:
filter_id = find_filter_device(G)
print(f"FILTER: 找到过滤器: {filter_id}")
except ValueError as e:
raise ValueError(f"无法找到过滤器: {str(e)}")
# 查找过滤器容器
try:
filter_vessel_id = find_filter_vessel(G)
print(f"FILTER: 找到过滤器容器: {filter_vessel_id}")
except ValueError as e:
raise ValueError(f"无法找到过滤器容器: {str(e)}")
# 查找滤液收集容器
try:
actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel)
print(f"FILTER: 找到滤液收集容器: {actual_filtrate_vessel}")
except ValueError as e:
raise ValueError(f"无法找到滤液收集容器: {str(e)}")
# 查找加热搅拌器(如果需要温度控制或搅拌)
heatchill_id = None
if temp != 25.0 or stir or continue_heatchill:
try:
heatchill_id = find_connected_heatchill(G, filter_vessel_id)
print(f"FILTER: 找到加热搅拌器: {heatchill_id}")
except ValueError as e:
print(f"FILTER: 警告 - {str(e)}")
# === 简化的体积计算策略 ===
if volume > 0:
transfer_volume = min(volume, source_volume if source_volume > 0 else volume)
print(f"FILTER: 指定过滤体积 {transfer_volume} mL")
elif source_volume > 0:
transfer_volume = source_volume * 0.9 # 90%
print(f"FILTER: 检测到液体体积,将过滤 {transfer_volume} mL")
# 验证可选参数
debug_print(" 🔍 验证可选参数...")
if filtrate_vessel:
validate_vessel(G, filtrate_vessel, "滤液容器")
debug_print(" 🌊 模式: 过滤并收集滤液 💧")
else:
transfer_volume = 50.0 # 默认过滤量
print(f"FILTER: 未检测到液体体积,默认过滤 {transfer_volume} mL")
debug_print(" 🧱 模式: 过滤并收集固体 🔬")
debug_print(" ✅ 可选参数验证完成 🎯")
# === 第一步:启动加热搅拌器(在转移前预热) ===
if heatchill_id and (temp != 25.0 or stir):
print(f"FILTER: 启动加热搅拌器,温度: {temp}°C搅拌: {stir}")
heatchill_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": filter_vessel_id,
"temp": temp,
"purpose": f"过滤过程温度控制和搅拌"
}
}
action_sequence.append(heatchill_action)
# 等待温度稳定
if temp != 25.0:
wait_time = min(30, abs(temp - 25.0) * 1.0) # 根据温差估算预热时间
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": wait_time}
})
# === 查找设备 ===
debug_print("📍 步骤2: 查找设备... 🔍")
# === 第二步:将待过滤溶液转移到过滤器 ===
print(f"FILTER: 将 {transfer_volume} mL 溶液从 {vessel} 转移到 {filter_vessel_id}")
try:
# 使用成熟的 pump_protocol 算法进行液体转移
transfer_to_filter_actions = generate_pump_protocol(
G=G,
from_vessel=vessel,
to_vessel=filter_vessel_id,
volume=transfer_volume,
flowrate=1.0, # 过滤转移用较慢速度,避免扰动
transfer_flowrate=1.5
)
action_sequence.extend(transfer_to_filter_actions)
debug_print(" 🔎 搜索过滤器设备...")
filter_device = find_filter_device(G)
debug_print(f" 🎉 使用过滤器设备: {filter_device} 🌊✨")
except Exception as e:
raise ValueError(f"无法将溶液转移到过滤器: {str(e)}")
debug_print(f" ❌ 设备查找失败: {str(e)} 😭")
raise ValueError(f"设备查找失败: {str(e)}")
# 转移后等待
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
# 🔧 新增:过滤效率和体积分配估算
debug_print("📍 步骤2.5: 过滤体积分配估算... 📊")
# === 第三步:执行过滤操作(完全按照 Filter.action 参数) ===
print(f"FILTER: 执行过滤操作")
# 估算过滤分离比例(基于经验数据)
solid_ratio = 0.1 # 假设10%是固体(保留在过滤器上)
liquid_ratio = 0.9 # 假设90%是液体(通过过滤器)
volume_loss_ratio = 0.05 # 假设5%体积损失(残留在过滤器等)
# 从kwargs中获取过滤参数进行优化
if "solid_content" in kwargs:
try:
solid_ratio = float(kwargs["solid_content"])
liquid_ratio = 1.0 - solid_ratio
debug_print(f"📋 使用指定的固体含量: {solid_ratio*100:.1f}%")
except:
debug_print("⚠️ 固体含量参数无效,使用默认值")
if original_liquid_volume > 0:
expected_filtrate_volume = original_liquid_volume * liquid_ratio * (1.0 - volume_loss_ratio)
expected_solid_volume = original_liquid_volume * solid_ratio
volume_loss = original_liquid_volume * volume_loss_ratio
debug_print(f"📊 过滤体积分配估算:")
debug_print(f" - 原始体积: {original_liquid_volume:.2f}mL")
debug_print(f" - 预计滤液体积: {expected_filtrate_volume:.2f}mL ({liquid_ratio*100:.1f}%)")
debug_print(f" - 预计固体体积: {expected_solid_volume:.2f}mL ({solid_ratio*100:.1f}%)")
debug_print(f" - 预计损失体积: {volume_loss:.2f}mL ({volume_loss_ratio*100:.1f}%)")
# === 转移到过滤器(如果需要)===
debug_print("📍 步骤3: 转移到过滤器... 🚚")
if vessel_id != filter_device: # 🔧 使用 vessel_id
debug_print(f" 🚛 需要转移: {vessel_id}{filter_device} 📦")
try:
debug_print(" 🔄 开始执行转移操作...")
# 使用pump protocol转移液体到过滤器
transfer_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=vessel_id, # 🔧 使用 vessel_id
to_vessel=filter_device,
volume=0.0, # 转移所有液体
amount="",
time=0.0,
viscous=False,
rinsing_solvent="",
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.0,
transfer_flowrate=2.0
)
if transfer_actions:
action_sequence.extend(transfer_actions)
debug_print(f" ✅ 添加了 {len(transfer_actions)} 个转移动作 🚚✨")
# 🔧 新增:转移后更新容器体积
debug_print(" 🔧 更新转移后的容器体积...")
# 原容器体积变为0所有液体已转移
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
vessel["data"]["liquid_volume"] = [0.0] if len(current_volume) > 0 else [0.0]
else:
vessel["data"]["liquid_volume"] = 0.0
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
G.nodes[vessel_id]['data']['liquid_volume'] = 0.0
debug_print(f" 📊 转移完成,{vessel_id} 体积更新为 0.0mL")
else:
debug_print(" ⚠️ 转移协议返回空序列 🤔")
except Exception as e:
debug_print(f" ❌ 转移失败: {str(e)} 😞")
debug_print(" 🔄 继续执行,可能是直接连接的过滤器 🤞")
else:
debug_print(" ✅ 过滤容器就是过滤器,无需转移 🎯")
# === 执行过滤操作 ===
debug_print("📍 步骤4: 执行过滤操作... 🌊")
# 构建过滤动作参数
debug_print(" ⚙️ 构建过滤参数...")
filter_kwargs = {
"vessel": filter_device, # 过滤器设备
"filtrate_vessel": filtrate_vessel, # 滤液容器(可能为空)
"stir": kwargs.get("stir", False),
"stir_speed": kwargs.get("stir_speed", 0.0),
"temp": kwargs.get("temp", 25.0),
"continue_heatchill": kwargs.get("continue_heatchill", False),
"volume": kwargs.get("volume", 0.0) # 0表示过滤所有
}
debug_print(f" 📋 过滤参数: {filter_kwargs}")
debug_print(" 🌊 开始过滤操作...")
# 过滤动作
filter_action = {
"device_id": filter_id,
"device_id": filter_device,
"action_name": "filter",
"action_kwargs": {
"vessel": filter_vessel_id,
"filtrate_vessel": actual_filtrate_vessel,
"stir": stir,
"stir_speed": stir_speed,
"temp": temp,
"continue_heatchill": continue_heatchill,
"volume": transfer_volume
}
"action_kwargs": filter_kwargs
}
action_sequence.append(filter_action)
debug_print(" ✅ 过滤动作已添加 🌊✨")
# 过滤后等待
debug_print(" ⏳ 添加过滤后等待...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10}
"action_kwargs": {"time": 10.0}
})
debug_print(" ✅ 过滤后等待动作已添加 ⏰✨")
# === 第四步:如果不继续加热搅拌,停止加热器 ===
if heatchill_id and not continue_heatchill and (temp != 25.0 or stir):
print(f"FILTER: 停止加热搅拌器")
# === 收集滤液(如果需要)===
debug_print("📍 步骤5: 收集滤液... 💧")
if filtrate_vessel:
debug_print(f" 🧪 收集滤液: {filter_device}{filtrate_vessel} 💧")
stop_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": filter_vessel_id
}
}
action_sequence.append(stop_action)
try:
debug_print(" 🔄 开始执行收集操作...")
# 使用pump protocol收集滤液
collect_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=filter_device,
to_vessel=filtrate_vessel,
volume=0.0, # 收集所有滤液
amount="",
time=0.0,
viscous=False,
rinsing_solvent="",
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.0,
transfer_flowrate=2.0
)
if collect_actions:
action_sequence.extend(collect_actions)
debug_print(f" ✅ 添加了 {len(collect_actions)} 个收集动作 🧪✨")
# 🔧 新增:收集滤液后的体积更新
debug_print(" 🔧 更新滤液容器体积...")
# 更新filtrate_vessel在图中的体积如果它是节点
if filtrate_vessel in G.nodes():
if 'data' not in G.nodes[filtrate_vessel]:
G.nodes[filtrate_vessel]['data'] = {}
current_filtrate_volume = G.nodes[filtrate_vessel]['data'].get('liquid_volume', 0.0)
if isinstance(current_filtrate_volume, list):
if len(current_filtrate_volume) > 0:
G.nodes[filtrate_vessel]['data']['liquid_volume'][0] += expected_filtrate_volume
else:
G.nodes[filtrate_vessel]['data']['liquid_volume'] = [expected_filtrate_volume]
else:
G.nodes[filtrate_vessel]['data']['liquid_volume'] = current_filtrate_volume + expected_filtrate_volume
debug_print(f" 📊 滤液容器 {filtrate_vessel} 体积增加 {expected_filtrate_volume:.2f}mL")
else:
debug_print(" ⚠️ 收集协议返回空序列 🤔")
except Exception as e:
debug_print(f" ❌ 收集滤液失败: {str(e)} 😞")
debug_print(" 🔄 继续执行,可能滤液直接流入指定容器 🤞")
else:
debug_print(" 🧱 未指定滤液容器,固体保留在过滤器中 🔬")
print(f"FILTER: 生成了 {len(action_sequence)} 个动作")
print(f"FILTER: 过滤协议生成完成")
# 🔧 新增:过滤完成后的容器状态更新
debug_print("📍 步骤5.5: 过滤完成后状态更新... 📊")
if vessel_id == filter_device:
# 如果过滤容器就是过滤器,需要更新其体积状态
if original_liquid_volume > 0:
if filtrate_vessel:
# 收集滤液模式:过滤器中主要保留固体
remaining_volume = expected_solid_volume
debug_print(f" 🧱 过滤器中保留固体: {remaining_volume:.2f}mL")
else:
# 保留固体模式:过滤器中保留所有物质
remaining_volume = original_liquid_volume * (1.0 - volume_loss_ratio)
debug_print(f" 🔬 过滤器中保留所有物质: {remaining_volume:.2f}mL")
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
vessel["data"]["liquid_volume"] = [remaining_volume] if len(current_volume) > 0 else [remaining_volume]
else:
vessel["data"]["liquid_volume"] = remaining_volume
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
G.nodes[vessel_id]['data']['liquid_volume'] = remaining_volume
debug_print(f" 📊 过滤器 {vessel_id} 体积更新为: {remaining_volume:.2f}mL")
# === 最终等待 ===
debug_print("📍 步骤6: 最终等待... ⏰")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5.0}
})
debug_print(" ✅ 最终等待动作已添加 ⏰✨")
# 🔧 新增:过滤完成后的状态报告
final_vessel_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
final_vessel_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_vessel_volume = current_volume
# === 总结 ===
debug_print("🎊" * 20)
debug_print(f"🎉 过滤协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)} 个 📝")
debug_print(f"🥽 过滤容器: {vessel_id} 🧪")
debug_print(f"🌊 过滤器设备: {filter_device} 🔧")
debug_print(f"💧 滤液容器: {filtrate_vessel or '无(保留固体)'} 🧱")
debug_print(f"⏱️ 预计总时间: {(len(action_sequence) * 5):.0f} 秒 ⌛")
if original_liquid_volume > 0:
debug_print(f"📊 体积变化统计:")
debug_print(f" - 过滤前体积: {original_liquid_volume:.2f}mL")
debug_print(f" - 过滤后容器体积: {final_vessel_volume:.2f}mL")
if filtrate_vessel:
debug_print(f" - 预计滤液体积: {expected_filtrate_volume:.2f}mL")
debug_print(f" - 预计损失体积: {volume_loss:.2f}mL")
debug_print("🎊" * 20)
return action_sequence
# 便捷函数:常用过滤方案
def generate_gravity_filter_protocol(
G: nx.DiGraph,
vessel: str,
filtrate_vessel: str = ""
) -> List[Dict[str, Any]]:
"""重力过滤:室温,无搅拌"""
return generate_filter_protocol(G, vessel, filtrate_vessel, False, 0.0, 25.0, False, 0.0)
def generate_hot_filter_protocol(
G: nx.DiGraph,
vessel: str,
filtrate_vessel: str = "",
temp: float = 60.0
) -> List[Dict[str, Any]]:
"""热过滤:高温过滤,防止结晶析出"""
return generate_filter_protocol(G, vessel, filtrate_vessel, False, 0.0, temp, False, 0.0)
def generate_stirred_filter_protocol(
G: nx.DiGraph,
vessel: str,
filtrate_vessel: str = "",
stir_speed: float = 200.0
) -> List[Dict[str, Any]]:
"""搅拌过滤:低速搅拌,防止滤饼堵塞"""
return generate_filter_protocol(G, vessel, filtrate_vessel, True, stir_speed, 25.0, False, 0.0)
def generate_hot_stirred_filter_protocol(
G: nx.DiGraph,
vessel: str,
filtrate_vessel: str = "",
temp: float = 60.0,
stir_speed: float = 300.0
) -> List[Dict[str, Any]]:
"""热搅拌过滤:高温搅拌过滤"""
return generate_filter_protocol(G, vessel, filtrate_vessel, True, stir_speed, temp, False, 0.0)

View File

@@ -1,373 +1,405 @@
from typing import List, Dict, Any, Optional
from typing import List, Dict, Any, Union
import networkx as nx
import logging
import re
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"🌡️ [HEATCHILL] {message}", flush=True)
logger.info(f"[HEATCHILL] {message}")
def parse_time_input(time_input: Union[str, float, int]) -> float:
"""
解析时间输入(统一函数)
Args:
time_input: 时间输入(如 "30 min", "1 h", "300", "?", 60.0
Returns:
float: 时间(秒)
"""
if not time_input:
return 300.0
# 🔢 处理数值输入
if isinstance(time_input, (int, float)):
result = float(time_input)
debug_print(f"⏰ 数值时间: {time_input}{result}s")
return result
# 📝 处理字符串输入
time_str = str(time_input).lower().strip()
debug_print(f"🔍 解析时间: '{time_str}'")
# ❓ 特殊值处理
special_times = {
'?': 300.0, 'unknown': 300.0, 'tbd': 300.0,
'overnight': 43200.0, 'several hours': 10800.0,
'few hours': 7200.0, 'long time': 3600.0, 'short time': 300.0
}
if time_str in special_times:
result = special_times[time_str]
debug_print(f"🎯 特殊时间: '{time_str}'{result}s ({result/60:.1f}分钟)")
return result
# 🔢 纯数字处理
try:
result = float(time_str)
debug_print(f"⏰ 纯数字: {time_str}{result}s")
return result
except ValueError:
pass
# 📐 正则表达式解析
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
match = re.match(pattern, time_str)
if not match:
debug_print(f"⚠️ 无法解析时间: '{time_str}',使用默认值: 300s")
return 300.0
value = float(match.group(1))
unit = match.group(2) or 's'
# 📏 单位转换
unit_multipliers = {
's': 1.0, 'sec': 1.0, 'second': 1.0, 'seconds': 1.0,
'm': 60.0, 'min': 60.0, 'mins': 60.0, 'minute': 60.0, 'minutes': 60.0,
'h': 3600.0, 'hr': 3600.0, 'hrs': 3600.0, 'hour': 3600.0, 'hours': 3600.0,
'd': 86400.0, 'day': 86400.0, 'days': 86400.0
}
multiplier = unit_multipliers.get(unit, 1.0)
result = value * multiplier
debug_print(f"✅ 时间解析: '{time_str}'{value} {unit}{result}s ({result/60:.1f}分钟)")
return result
def parse_temp_input(temp_input: Union[str, float], default_temp: float = 25.0) -> float:
"""
解析温度输入(统一函数)
Args:
temp_input: 温度输入
default_temp: 默认温度
Returns:
float: 温度°C
"""
if not temp_input:
return default_temp
# 🔢 数值输入
if isinstance(temp_input, (int, float)):
result = float(temp_input)
debug_print(f"🌡️ 数值温度: {temp_input}{result}°C")
return result
# 📝 字符串输入
temp_str = str(temp_input).lower().strip()
debug_print(f"🔍 解析温度: '{temp_str}'")
# 🎯 特殊温度
special_temps = {
"room temperature": 25.0, "reflux": 78.0, "ice bath": 0.0,
"boiling": 100.0, "hot": 60.0, "warm": 40.0, "cold": 10.0
}
if temp_str in special_temps:
result = special_temps[temp_str]
debug_print(f"🎯 特殊温度: '{temp_str}'{result}°C")
return result
# 📐 正则解析(如 "256 °C"
temp_pattern = r'(\d+(?:\.\d+)?)\s*°?[cf]?'
match = re.search(temp_pattern, temp_str)
if match:
result = float(match.group(1))
debug_print(f"✅ 温度解析: '{temp_str}'{result}°C")
return result
debug_print(f"⚠️ 无法解析温度: '{temp_str}',使用默认值: {default_temp}°C")
return default_temp
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
"""
查找与指定容器相连的加热/冷却设备
"""
# 查找所有加热/冷却设备节点
heatchill_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_heatchill']
"""查找与指定容器相连的加热/冷却设备"""
debug_print(f"🔍 查找加热设备,目标容器: {vessel}")
# 检查哪个加热/冷却设备与目标容器相连(机械连接)
for heatchill in heatchill_nodes:
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
return heatchill
# 🔧 查找所有加热设备
heatchill_nodes = []
for node in G.nodes():
node_data = G.nodes[node]
node_class = node_data.get('class', '') or ''
if 'heatchill' in node_class.lower() or 'virtual_heatchill' in node_class:
heatchill_nodes.append(node)
debug_print(f"🎉 找到加热设备: {node}")
# 如果没有直接连接,返回第一个可用的加热/冷却设备
# 🔗 检查连接
if vessel and heatchill_nodes:
for heatchill in heatchill_nodes:
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
debug_print(f"✅ 加热设备 '{heatchill}' 与容器 '{vessel}' 相连")
return heatchill
# 🎯 使用第一个可用设备
if heatchill_nodes:
return heatchill_nodes[0]
selected = heatchill_nodes[0]
debug_print(f"🔧 使用第一个加热设备: {selected}")
return selected
raise ValueError("系统中未找到可用的加热/冷却设备")
# 🆘 默认设备
debug_print("⚠️ 未找到加热设备,使用默认设备")
return "heatchill_1"
def validate_and_fix_params(temp: float, time: float, stir_speed: float) -> tuple:
"""验证和修正参数"""
# 🌡️ 温度范围验证
if temp < -50.0 or temp > 300.0:
debug_print(f"⚠️ 温度 {temp}°C 超出范围,修正为 25°C")
temp = 25.0
else:
debug_print(f"✅ 温度 {temp}°C 在正常范围内")
# ⏰ 时间验证
if time < 0:
debug_print(f"⚠️ 时间 {time}s 无效,修正为 300s")
time = 300.0
else:
debug_print(f"✅ 时间 {time}s ({time/60:.1f}分钟) 有效")
# 🌪️ 搅拌速度验证
if stir_speed < 0 or stir_speed > 1500.0:
debug_print(f"⚠️ 搅拌速度 {stir_speed} RPM 超出范围,修正为 300 RPM")
stir_speed = 300.0
else:
debug_print(f"✅ 搅拌速度 {stir_speed} RPM 在正常范围内")
return temp, time, stir_speed
def generate_heat_chill_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float,
vessel: dict, # 🔧 修改:从字符串改为字典类型
temp: float = 25.0,
time: Union[str, float] = "300",
temp_spec: str = "",
time_spec: str = "",
pressure: str = "",
reflux_solvent: str = "",
stir: bool = False,
stir_speed: float = 300.0,
purpose: str = "加热/冷却操作"
purpose: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成加热/冷却操作的协议序列 - 带时间限制的完整操作
生成加热/冷却操作的协议序列 - 支持vessel字典
Args:
G: 设备图
vessel: 容器字典从XDL传入
temp: 目标温度 (°C)
time: 加热时间(支持字符串如 "30 min"
temp_spec: 温度规格说明优先级高于temp
time_spec: 时间规格说明优先级高于time
pressure: 压力设置
reflux_solvent: 回流溶剂
stir: 是否搅拌
stir_speed: 搅拌速度 (RPM)
purpose: 操作目的说明
**kwargs: 其他参数(兼容性)
Returns:
List[Dict[str, Any]]: 加热/冷却操作的动作序列
"""
action_sequence = []
print(f"HEATCHILL: 开始生成加热/冷却协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 持续时间: {time}")
print(f" - 使用内置搅拌: {stir}, 速度: {stir_speed} RPM")
print(f" - 目的: {purpose}")
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
debug_print("🌡️" * 20)
debug_print("🚀 开始生成加热冷却协议支持vessel字典")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 🌡️ temp: {temp}°C")
debug_print(f" ⏰ time: {time}")
debug_print(f" 🎯 temp_spec: {temp_spec}")
debug_print(f" ⏱️ time_spec: {time_spec}")
debug_print(f" 🌪️ stir: {stir} ({stir_speed} RPM)")
debug_print(f" 🎭 purpose: '{purpose}'")
debug_print("🌡️" * 20)
# 2. 查找加热/冷却设备
# 📋 参数验证
debug_print("📍 步骤1: 参数验证... 🔧")
if not vessel_id: # 🔧 使用 vessel_id
debug_print("❌ vessel 参数不能为空! 😱")
raise ValueError("vessel 参数不能为空")
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中! 😞")
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
debug_print("✅ 基础参数验证通过 🎯")
# 🔄 参数解析
debug_print("📍 步骤2: 参数解析... ⚡")
#温度解析:优先使用 temp_spec
final_temp = parse_temp_input(temp_spec, temp) if temp_spec else temp
# 时间解析:优先使用 time_spec
final_time = parse_time_input(time_spec) if time_spec else parse_time_input(time)
# 参数修正
final_temp, final_time, stir_speed = validate_and_fix_params(final_temp, final_time, stir_speed)
debug_print(f"🎯 最终参数: temp={final_temp}°C, time={final_time}s, stir_speed={stir_speed} RPM")
# 🔍 查找设备
debug_print("📍 步骤3: 查找加热设备... 🔍")
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
debug_print(f"🎉 使用加热设备: {heatchill_id}")
except Exception as e:
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
raise ValueError(f"无法找到加热设备: {str(e)}")
# 3. 执行加热/冷却操
# 🚀 生成动
debug_print("📍 步骤4: 生成加热动作... 🔥")
# 🕐 模拟运行时间优化
debug_print(" ⏱️ 检查模拟运行时间限制...")
original_time = final_time
simulation_time_limit = 100.0 # 模拟运行时间限制100秒
if final_time > simulation_time_limit:
final_time = simulation_time_limit
debug_print(f" 🎮 模拟运行优化: {original_time}s → {final_time}s (限制为{simulation_time_limit}s) ⚡")
debug_print(f" 📊 时间缩短: {original_time/60:.1f}分钟 → {final_time/60:.1f}分钟 🚀")
else:
debug_print(f" ✅ 时间在限制内: {final_time}s ({final_time/60:.1f}分钟) 保持不变 🎯")
action_sequence = []
heatchill_action = {
"device_id": heatchill_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"time": time,
"stir": stir,
"stir_speed": stir_speed,
"status": "start"
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": float(final_temp),
"time": float(final_time),
"stir": bool(stir),
"stir_speed": float(stir_speed),
"purpose": str(purpose or f"加热到 {final_temp}°C") + (f" (模拟时间: {final_time}s)" if original_time != final_time else "")
}
}
action_sequence.append(heatchill_action)
debug_print("✅ 加热动作已添加 🔥✨")
# 显示时间调整信息
if original_time != final_time:
debug_print(f" 🎭 模拟优化说明: 原计划 {original_time/60:.1f}分钟,实际模拟 {final_time/60:.1f}分钟 ⚡")
# 🎊 总结
debug_print("🎊" * 20)
debug_print(f"🎉 加热冷却协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)}")
debug_print(f"🥽 加热容器: {vessel_id}")
debug_print(f"🌡️ 目标温度: {final_temp}°C")
debug_print(f"⏰ 加热时间: {final_time}s ({final_time/60:.1f}分钟)")
debug_print("🎊" * 20)
print(f"HEATCHILL: 生成了 {len(action_sequence)} 个动作")
return action_sequence
def generate_heat_chill_start_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
purpose: str = "开始加热/冷却"
) -> List[Dict[str, Any]]:
"""
生成开始加热/冷却操作的协议序列
"""
action_sequence = []
print(f"HEATCHILL_START: 开始生成加热/冷却启动协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 目的: {purpose}")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_START: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 3. 执行开始加热/冷却操作
heatchill_start_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"purpose": purpose
}
}
action_sequence.append(heatchill_start_action)
print(f"HEATCHILL_START: 生成了 {len(action_sequence)} 个动作")
return action_sequence
def generate_heat_chill_stop_protocol(
G: nx.DiGraph,
vessel: str
) -> List[Dict[str, Any]]:
"""
生成停止加热/冷却操作的协议序列
"""
action_sequence = []
print(f"HEATCHILL_STOP: 开始生成加热/冷却停止协议")
print(f" - 容器: {vessel}")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_STOP: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 3. 执行停止加热/冷却操作
heatchill_stop_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel
}
}
action_sequence.append(heatchill_stop_action)
print(f"HEATCHILL_STOP: 生成了 {len(action_sequence)} 个动作")
return action_sequence
def generate_heat_chill_to_temp_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
active: bool = True,
continue_heatchill: bool = False,
stir: bool = False,
stir_speed: Optional[float] = None,
purpose: Optional[str] = None
vessel: dict, # 🔧 修改参数类型
temp: float = 25.0,
time: Union[str, float] = 100.0,
**kwargs
) -> List[Dict[str, Any]]:
"""
生成加热/冷却到指定温度的协议序列 - 智能温控协议
"""生成加热到指定温度的协议(简化版)"""
vessel_id = vessel["id"]
debug_print(f"🌡️ 生成加热到温度协议: {vessel_id}{temp}°C")
return generate_heat_chill_protocol(G, vessel, temp, time, **kwargs)
def generate_heat_chill_start_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改参数类型
temp: float = 25.0,
purpose: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""生成开始加热操作的协议序列"""
**关键修复**: 学习 pump_protocol 的模式,直接使用设备基础动作,不依赖特定的 Action 文件
"""
action_sequence = []
# 🔧 核心修改从字典中提取容器ID
vessel_id = vessel["id"]
# 设置默认值
if stir_speed is None:
stir_speed = 300.0
if purpose is None:
purpose = f"智能温控到 {temp}°C"
debug_print("🔥 开始生成启动加热协议 ✨")
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id}), 🌡️ temp: {temp}°C")
print(f"HEATCHILL_TO_TEMP: 开始生成智能温控协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 主动控温: {active}")
print(f" - 达到温度后继续: {continue_heatchill}")
print(f" - 搅拌: {stir}, 速度: {stir_speed} RPM")
print(f" - 目的: {purpose}")
# 基础验证
if not vessel_id or vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 查找设备
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_TO_TEMP: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 生成动作
action_sequence = [{
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": temp,
"purpose": purpose or f"开始加热到 {temp}°C"
}
}]
# 3. 根据参数选择合适的基础动作组合 (学习 pump_protocol 的模式)
if not active:
print(f"HEATCHILL_TO_TEMP: 非主动模式,仅等待")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0,
"purpose": f"等待容器 {vessel} 自然达到 {temp}°C"
}
})
else:
if continue_heatchill:
# 持续模式:使用 heat_chill_start 基础动作
print(f"HEATCHILL_TO_TEMP: 使用持续温控模式")
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill_start", # ← 直接使用设备基础动作
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"purpose": f"{purpose} (持续保温)"
}
})
else:
# 一次性模式:使用 heat_chill 基础动作
print(f"HEATCHILL_TO_TEMP: 使用一次性温控模式")
estimated_time = max(60.0, min(900.0, abs(temp - 25.0) * 30.0))
print(f"HEATCHILL_TO_TEMP: 估算所需时间: {estimated_time}")
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill", # ← 直接使用设备基础动作
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"time": estimated_time,
"stir": stir,
"stir_speed": stir_speed,
"status": "start"
}
})
print(f"HEATCHILL_TO_TEMP: 生成了 {len(action_sequence)} 个动作")
debug_print(f"✅ 启动加热协议生成完成 🎯")
return action_sequence
# 扩展版本的加热/冷却协议,集成智能温控功能
def generate_smart_heat_chill_protocol(
def generate_heat_chill_stop_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 0.0, # 0表示自动估算
active: bool = True,
continue_heatchill: bool = False,
stir: bool = False,
stir_speed: float = 300.0,
purpose: str = "智能加热/冷却"
vessel: dict, # 🔧 修改参数类型
**kwargs
) -> List[Dict[str, Any]]:
"""
这个函数集成了 generate_heat_chill_to_temp_protocol 的智能逻辑,
但使用现有的 Action 类型
"""
# 如果时间为0自动估算
if time == 0.0:
estimated_time = max(60.0, min(900.0, abs(temp - 25.0) * 30.0))
time = estimated_time
"""生成停止加热操作的协议序列"""
if continue_heatchill:
# 使用持续模式
return generate_heat_chill_start_protocol(G, vessel, temp, purpose)
else:
# 使用定时模式
return generate_heat_chill_protocol(G, vessel, temp, time, stir, stir_speed, purpose)
# 🔧 核心修改从字典中提取容器ID
vessel_id = vessel["id"]
debug_print("🛑 开始生成停止加热协议 ✨")
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id})")
# 基础验证
if not vessel_id or vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 查找设备
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
# 生成动作
action_sequence = [{
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel_id # 🔧 使用 vessel_id
}
}]
debug_print(f"✅ 停止加热协议生成完成 🎯")
return action_sequence
# 便捷函数
def generate_heating_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 300.0,
stir: bool = True,
stir_speed: float = 300.0
) -> List[Dict[str, Any]]:
"""生成加热协议的便捷函数"""
return generate_heat_chill_protocol(
G=G, vessel=vessel, temp=temp, time=time,
stir=stir, stir_speed=stir_speed, purpose=f"加热到 {temp}°C"
)
def generate_cooling_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 600.0,
stir: bool = True,
stir_speed: float = 200.0
) -> List[Dict[str, Any]]:
"""生成冷却协议的便捷函数"""
return generate_heat_chill_protocol(
G=G, vessel=vessel, temp=temp, time=time,
stir=stir, stir_speed=stir_speed, purpose=f"冷却到 {temp}°C"
)
# # 温度预设快捷函数
# def generate_room_temp_protocol(
# G: nx.DiGraph,
# vessel: str,
# stir: bool = False
# ) -> List[Dict[str, Any]]:
# """返回室温的快捷函数"""
# return generate_heat_chill_to_temp_protocol(
# G=G,
# vessel=vessel,
# temp=25.0,
# active=True,
# continue_heatchill=False,
# stir=stir,
# purpose="冷却到室温"
# )
# def generate_reflux_heating_protocol(
# G: nx.DiGraph,
# vessel: str,
# temp: float,
# time: float = 3600.0 # 1小时回流
# ) -> List[Dict[str, Any]]:
# """回流加热的快捷函数"""
# return generate_heat_chill_protocol(
# G=G,
# vessel=vessel,
# temp=temp,
# time=time,
# stir=True,
# stir_speed=400.0, # 回流时较快搅拌
# purpose=f"回流加热到 {temp}°C"
# )
# def generate_ice_bath_protocol(
# G: nx.DiGraph,
# vessel: str,
# time: float = 600.0 # 10分钟冰浴
# ) -> List[Dict[str, Any]]:
# """冰浴冷却的快捷函数"""
# return generate_heat_chill_protocol(
# G=G,
# vessel=vessel,
# temp=0.0,
# time=time,
# stir=True,
# stir_speed=150.0, # 冰浴时缓慢搅拌
# purpose="冰浴冷却到 0°C"
# )
# 测试函数
def test_heatchill_protocol():
"""测试加热/冷却协议的示例"""
print("=== HEAT CHILL PROTOCOL 测试 ===")
print("完整的四个协议函数:")
print("1. generate_heat_chill_protocol - 带时间限制的完整操作")
print("2. generate_heat_chill_start_protocol - 持续加热/冷却")
print("3. generate_heat_chill_stop_protocol - 停止加热/冷却")
print("4. generate_heat_chill_to_temp_protocol - 智能温控 (您的 HeatChillToTemp)")
print("测试完成")
if __name__ == "__main__":
test_heatchill_protocol()

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import networkx as nx
from typing import List, Dict, Any, Optional
def parse_temperature(temp_str: str) -> float:
"""
解析温度字符串,支持多种格式
Args:
temp_str: 温度字符串(如 "45 °C", "45°C", "45"
Returns:
float: 温度值(摄氏度)
"""
try:
# 移除常见的温度单位和符号
temp_clean = temp_str.replace("°C", "").replace("°", "").replace("C", "").strip()
return float(temp_clean)
except ValueError:
print(f"HYDROGENATE: 无法解析温度 '{temp_str}',使用默认温度 25°C")
return 25.0
def parse_time(time_str: str) -> float:
"""
解析时间字符串,支持多种格式
Args:
time_str: 时间字符串(如 "2 h", "120 min", "7200 s"
Returns:
float: 时间值(秒)
"""
try:
time_clean = time_str.lower().strip()
# 处理小时
if "h" in time_clean:
hours = float(time_clean.replace("h", "").strip())
return hours * 3600.0
# 处理分钟
if "min" in time_clean:
minutes = float(time_clean.replace("min", "").strip())
return minutes * 60.0
# 处理秒
if "s" in time_clean:
seconds = float(time_clean.replace("s", "").strip())
return seconds
# 默认按小时处理
return float(time_clean) * 3600.0
except ValueError:
print(f"HYDROGENATE: 无法解析时间 '{time_str}',使用默认时间 2小时")
return 7200.0 # 2小时
def find_associated_solenoid_valve(G: nx.DiGraph, device_id: str) -> Optional[str]:
"""查找与指定设备相关联的电磁阀"""
solenoid_valves = [
node for node in G.nodes()
if ('solenoid' in (G.nodes[node].get('class') or '').lower()
or 'solenoid_valve' in node)
]
# 通过网络连接查找直接相连的电磁阀
for solenoid in solenoid_valves:
if G.has_edge(device_id, solenoid) or G.has_edge(solenoid, device_id):
return solenoid
# 通过命名规则查找关联的电磁阀
device_type = ""
if 'gas' in device_id.lower():
device_type = "gas"
elif 'h2' in device_id.lower() or 'hydrogen' in device_id.lower():
device_type = "gas"
if device_type:
for solenoid in solenoid_valves:
if device_type in solenoid.lower():
return solenoid
return None
def find_connected_device(G: nx.DiGraph, vessel: str, device_type: str) -> str:
"""
查找与容器相连的指定类型设备
Args:
G: 网络图
vessel: 容器名称
device_type: 设备类型 ('heater', 'stirrer', 'gas_source')
Returns:
str: 设备ID如果没有则返回None
"""
print(f"HYDROGENATE: 正在查找与容器 '{vessel}' 相连的 {device_type}...")
# 根据设备类型定义搜索关键词
if device_type == 'heater':
keywords = ['heater', 'heat', 'heatchill']
device_class = 'virtual_heatchill'
elif device_type == 'stirrer':
keywords = ['stirrer', 'stir']
device_class = 'virtual_stirrer'
elif device_type == 'gas_source':
keywords = ['gas', 'h2', 'hydrogen']
device_class = 'virtual_gas_source'
else:
return None
# 查找设备节点
device_nodes = []
for node in G.nodes():
node_data = G.nodes[node]
node_name = node.lower()
node_class = node_data.get('class', '').lower()
# 通过名称匹配
if any(keyword in node_name for keyword in keywords):
device_nodes.append(node)
# 通过类型匹配
elif device_class in node_class:
device_nodes.append(node)
print(f"HYDROGENATE: 找到的{device_type}节点: {device_nodes}")
# 检查是否有设备与目标容器相连
for device in device_nodes:
if G.has_edge(device, vessel) or G.has_edge(vessel, device):
print(f"HYDROGENATE: 找到与容器 '{vessel}' 相连的{device_type}: {device}")
return device
# 如果没有直接连接,查找距离最近的设备
for device in device_nodes:
try:
path = nx.shortest_path(G, source=device, target=vessel)
if len(path) <= 3: # 最多2个中间节点
print(f"HYDROGENATE: 找到距离较近的{device_type}: {device}")
return device
except nx.NetworkXNoPath:
continue
print(f"HYDROGENATE: 未找到与容器 '{vessel}' 相连的{device_type}")
return None
def generate_hydrogenate_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
temp: str,
time: str,
**kwargs # 接收其他可能的参数但不使用
) -> List[Dict[str, Any]]:
"""
生成氢化反应协议序列 - 支持vessel字典
Args:
G: 有向图,节点为容器和设备
vessel: 反应容器字典从XDL传入
temp: 反应温度(如 "45 °C"
time: 反应时间(如 "2 h"
**kwargs: 其他可选参数,但不使用
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
action_sequence = []
# 解析参数
temperature = parse_temperature(temp)
reaction_time = parse_time(time)
print("🧪" * 20)
print(f"HYDROGENATE: 开始生成氢化反应协议支持vessel字典")
print(f"📝 输入参数:")
print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
print(f" 🌡️ 反应温度: {temperature}°C")
print(f" ⏰ 反应时间: {reaction_time/3600:.1f} 小时")
print("🧪" * 20)
# 🔧 新增:记录氢化前的容器状态(可选,氢化反应通常不改变体积)
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
print(f"📊 氢化前液体体积: {original_liquid_volume:.2f}mL")
# 1. 验证目标容器存在
print("📍 步骤1: 验证目标容器...")
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
print(f"⚠️ HYDROGENATE: 警告 - 容器 '{vessel_id}' 不存在于系统中,跳过氢化反应")
return action_sequence
print(f"✅ 容器 '{vessel_id}' 验证通过")
# 2. 查找相连的设备
print("📍 步骤2: 查找相连设备...")
heater_id = find_connected_device(G, vessel_id, 'heater') # 🔧 使用 vessel_id
stirrer_id = find_connected_device(G, vessel_id, 'stirrer') # 🔧 使用 vessel_id
gas_source_id = find_connected_device(G, vessel_id, 'gas_source') # 🔧 使用 vessel_id
print(f"🔧 设备配置:")
print(f" 🔥 加热器: {heater_id or '未找到'}")
print(f" 🌪️ 搅拌器: {stirrer_id or '未找到'}")
print(f" 💨 气源: {gas_source_id or '未找到'}")
# 3. 启动搅拌器
print("📍 步骤3: 启动搅拌器...")
if stirrer_id:
print(f"🌪️ 启动搅拌器 {stirrer_id}")
action_sequence.append({
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"stir_speed": 300.0,
"purpose": "氢化反应: 开始搅拌"
}
})
print("✅ 搅拌器启动动作已添加")
else:
print(f"⚠️ HYDROGENATE: 警告 - 未找到搅拌器,继续执行")
# 4. 启动气源(氢气)
print("📍 步骤4: 启动氢气源...")
if gas_source_id:
print(f"💨 启动气源 {gas_source_id} (氢气)")
action_sequence.append({
"device_id": gas_source_id,
"action_name": "set_status",
"action_kwargs": {
"string": "ON"
}
})
# 查找相关的电磁阀
gas_solenoid = find_associated_solenoid_valve(G, gas_source_id)
if gas_solenoid:
print(f"🚪 开启气源电磁阀 {gas_solenoid}")
action_sequence.append({
"device_id": gas_solenoid,
"action_name": "set_valve_position",
"action_kwargs": {
"command": "OPEN"
}
})
print("✅ 氢气源启动动作已添加")
else:
print(f"⚠️ HYDROGENATE: 警告 - 未找到气源,继续执行")
# 5. 等待气体稳定
print("📍 步骤5: 等待气体环境稳定...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 30.0,
"description": "等待氢气环境稳定"
}
})
print("✅ 气体稳定等待动作已添加")
# 6. 启动加热器
print("📍 步骤6: 启动加热反应...")
if heater_id:
print(f"🔥 启动加热器 {heater_id}{temperature}°C")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": temperature,
"purpose": f"氢化反应: 加热到 {temperature}°C"
}
})
# 等待温度稳定
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 20.0,
"description": f"等待温度稳定到 {temperature}°C"
}
})
# 🕐 模拟运行时间优化
print(" ⏰ 检查模拟运行时间限制...")
original_reaction_time = reaction_time
simulation_time_limit = 60.0 # 模拟运行时间限制60秒
if reaction_time > simulation_time_limit:
reaction_time = simulation_time_limit
print(f" 🎮 模拟运行优化: {original_reaction_time}s → {reaction_time}s (限制为{simulation_time_limit}s)")
print(f" 📊 时间缩短: {original_reaction_time/3600:.2f}小时 → {reaction_time/60:.1f}分钟")
else:
print(f" ✅ 时间在限制内: {reaction_time}s ({reaction_time/60:.1f}分钟) 保持不变")
# 保持反应温度
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"temp": temperature,
"time": reaction_time,
"purpose": f"氢化反应: 保持 {temperature}°C反应 {reaction_time/60:.1f}分钟" + (f" (模拟时间)" if original_reaction_time != reaction_time else "")
}
})
# 显示时间调整信息
if original_reaction_time != reaction_time:
print(f" 🎭 模拟优化说明: 原计划 {original_reaction_time/3600:.2f}小时,实际模拟 {reaction_time/60:.1f}分钟")
print("✅ 加热反应动作已添加")
else:
print(f"⚠️ HYDROGENATE: 警告 - 未找到加热器,使用室温反应")
# 🕐 室温反应也需要时间优化
print(" ⏰ 检查室温反应模拟时间限制...")
original_reaction_time = reaction_time
simulation_time_limit = 60.0 # 模拟运行时间限制60秒
if reaction_time > simulation_time_limit:
reaction_time = simulation_time_limit
print(f" 🎮 室温反应时间优化: {original_reaction_time}s → {reaction_time}s")
print(f" 📊 时间缩短: {original_reaction_time/3600:.2f}小时 → {reaction_time/60:.1f}分钟")
else:
print(f" ✅ 室温反应时间在限制内: {reaction_time}s 保持不变")
# 室温反应,只等待时间
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": reaction_time,
"description": f"室温氢化反应 {reaction_time/60:.1f}分钟" + (f" (模拟时间)" if original_reaction_time != reaction_time else "")
}
})
# 显示时间调整信息
if original_reaction_time != reaction_time:
print(f" 🎭 室温反应优化说明: 原计划 {original_reaction_time/3600:.2f}小时,实际模拟 {reaction_time/60:.1f}分钟")
print("✅ 室温反应等待动作已添加")
# 7. 停止加热
print("📍 步骤7: 停止加热...")
if heater_id:
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"purpose": "氢化反应完成,停止加热"
}
})
print("✅ 停止加热动作已添加")
# 8. 等待冷却
print("📍 步骤8: 等待冷却...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 300.0,
"description": "等待反应混合物冷却"
}
})
print("✅ 冷却等待动作已添加")
# 9. 停止气源
print("📍 步骤9: 停止氢气源...")
if gas_source_id:
# 先关闭电磁阀
gas_solenoid = find_associated_solenoid_valve(G, gas_source_id)
if gas_solenoid:
print(f"🚪 关闭气源电磁阀 {gas_solenoid}")
action_sequence.append({
"device_id": gas_solenoid,
"action_name": "set_valve_position",
"action_kwargs": {
"command": "CLOSED"
}
})
# 再关闭气源
action_sequence.append({
"device_id": gas_source_id,
"action_name": "set_status",
"action_kwargs": {
"string": "OFF"
}
})
print("✅ 氢气源停止动作已添加")
# 10. 停止搅拌
print("📍 步骤10: 停止搅拌...")
if stirrer_id:
action_sequence.append({
"device_id": stirrer_id,
"action_name": "stop_stir",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"purpose": "氢化反应完成,停止搅拌"
}
})
print("✅ 停止搅拌动作已添加")
# 🔧 新增:氢化完成后的状态(氢化反应通常不改变体积)
final_liquid_volume = original_liquid_volume # 氢化反应体积基本不变
# 总结
print("🎊" * 20)
print(f"🎉 氢化反应协议生成完成! ✨")
print(f"📊 总动作数: {len(action_sequence)}")
print(f"🥽 反应容器: {vessel_id}")
print(f"🌡️ 反应温度: {temperature}°C")
print(f"⏰ 反应时间: {reaction_time/60:.1f}分钟")
print(f"⏱️ 预计总时间: {(reaction_time + 450)/3600:.1f} 小时")
print(f"📊 体积状态:")
print(f" - 反应前体积: {original_liquid_volume:.2f}mL")
print(f" - 反应后体积: {final_liquid_volume:.2f}mL (氢化反应体积基本不变)")
print("🎊" * 20)
return action_sequence
# 测试函数
def test_hydrogenate_protocol():
"""测试氢化反应协议"""
print("🧪 === HYDROGENATE PROTOCOL 测试 === ✨")
# 测试温度解析
test_temps = ["45 °C", "45°C", "45", "25 C", "invalid"]
for temp in test_temps:
parsed = parse_temperature(temp)
print(f"温度 '{temp}' -> {parsed}°C")
# 测试时间解析
test_times = ["2 h", "120 min", "7200 s", "2", "invalid"]
for time in test_times:
parsed = parse_time(time)
print(f"时间 '{time}' -> {parsed/3600:.1f} 小时")
print("✅ 测试完成 🎉")
if __name__ == "__main__":
test_hydrogenate_protocol()

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import networkx as nx
import re
import logging
from typing import List, Dict, Any, Tuple, Union
from .pump_protocol import generate_pump_protocol_with_rinsing
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"💎 [RECRYSTALLIZE] {message}", flush=True)
logger.info(f"[RECRYSTALLIZE] {message}")
def parse_volume_with_units(volume_input: Union[str, float, int], default_unit: str = "mL") -> float:
"""
解析带单位的体积输入
Args:
volume_input: 体积输入(如 "100 mL", "2.5 L", "500", "?", 100.0
default_unit: 默认单位(默认为毫升)
Returns:
float: 体积(毫升)
"""
if not volume_input:
debug_print("⚠️ 体积输入为空,返回 0.0mL 📦")
return 0.0
# 处理数值输入
if isinstance(volume_input, (int, float)):
result = float(volume_input)
debug_print(f"🔢 数值体积输入: {volume_input}{result}mL默认单位💧")
return result
# 处理字符串输入
volume_str = str(volume_input).lower().strip()
debug_print(f"🔍 解析体积字符串: '{volume_str}' 📝")
# 处理特殊值
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
default_volume = 50.0 # 50mL默认值
debug_print(f"❓ 检测到未知体积,使用默认值: {default_volume}mL 🎯")
return default_volume
# 如果是纯数字,使用默认单位
try:
value = float(volume_str)
if default_unit.lower() in ["ml", "milliliter"]:
result = value
elif default_unit.lower() in ["l", "liter"]:
result = value * 1000.0
elif default_unit.lower() in ["μl", "ul", "microliter"]:
result = value / 1000.0
else:
result = value # 默认mL
debug_print(f"🔢 纯数字输入: {volume_str}{result}mL单位: {default_unit})📏")
return result
except ValueError:
pass
# 移除空格并提取数字和单位
volume_clean = re.sub(r'\s+', '', volume_str)
# 匹配数字和单位的正则表达式
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
if not match:
debug_print(f"⚠️ 无法解析体积: '{volume_str}',使用默认值: 50mL 🎯")
return 50.0
value = float(match.group(1))
unit = match.group(2) or default_unit.lower()
# 转换为毫升
if unit in ['l', 'liter']:
volume = value * 1000.0 # L -> mL
debug_print(f"📏 升转毫升: {value}L → {volume}mL 💧")
elif unit in ['μl', 'ul', 'microliter']:
volume = value / 1000.0 # μL -> mL
debug_print(f"📏 微升转毫升: {value}μL → {volume}mL 💧")
else: # ml, milliliter 或默认
volume = value # 已经是mL
debug_print(f"📏 毫升单位: {value}mL → {volume}mL 💧")
debug_print(f"✅ 体积解析完成: '{volume_str}'{volume}mL ✨")
return volume
def parse_ratio(ratio_str: str) -> Tuple[float, float]:
"""
解析比例字符串,支持多种格式
Args:
ratio_str: 比例字符串(如 "1:1", "3:7", "50:50"
Returns:
Tuple[float, float]: 比例元组 (ratio1, ratio2)
"""
debug_print(f"⚖️ 开始解析比例: '{ratio_str}' 📊")
try:
# 处理 "1:1", "3:7", "50:50" 等格式
if ":" in ratio_str:
parts = ratio_str.split(":")
if len(parts) == 2:
ratio1 = float(parts[0])
ratio2 = float(parts[1])
debug_print(f"✅ 冒号格式解析成功: {ratio1}:{ratio2} 🎯")
return ratio1, ratio2
# 处理 "1-1", "3-7" 等格式
if "-" in ratio_str:
parts = ratio_str.split("-")
if len(parts) == 2:
ratio1 = float(parts[0])
ratio2 = float(parts[1])
debug_print(f"✅ 横线格式解析成功: {ratio1}:{ratio2} 🎯")
return ratio1, ratio2
# 处理 "1,1", "3,7" 等格式
if "," in ratio_str:
parts = ratio_str.split(",")
if len(parts) == 2:
ratio1 = float(parts[0])
ratio2 = float(parts[1])
debug_print(f"✅ 逗号格式解析成功: {ratio1}:{ratio2} 🎯")
return ratio1, ratio2
# 默认 1:1
debug_print(f"⚠️ 无法解析比例 '{ratio_str}',使用默认比例 1:1 🎭")
return 1.0, 1.0
except ValueError:
debug_print(f"❌ 比例解析错误 '{ratio_str}',使用默认比例 1:1 🎭")
return 1.0, 1.0
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
"""
查找溶剂容器
Args:
G: 网络图
solvent: 溶剂名称
Returns:
str: 溶剂容器ID
"""
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器... 🧪")
# 构建可能的容器名称
possible_names = [
f"flask_{solvent}",
f"bottle_{solvent}",
f"reagent_{solvent}",
f"reagent_bottle_{solvent}",
f"{solvent}_flask",
f"{solvent}_bottle",
f"{solvent}",
f"vessel_{solvent}",
]
debug_print(f"📋 候选容器名称: {possible_names[:3]}... (共{len(possible_names)}个) 📝")
# 第一步:通过容器名称匹配
debug_print(" 🎯 步骤1: 精确名称匹配...")
for vessel_name in possible_names:
if vessel_name in G.nodes():
debug_print(f" 🎉 通过名称匹配找到容器: {vessel_name}")
return vessel_name
# 第二步通过模糊匹配节点ID和名称
debug_print(" 🔍 步骤2: 模糊名称匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_name = G.nodes[node_id].get('name', '').lower()
if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
debug_print(f" 🎉 通过模糊匹配找到容器: {node_id} (名称: {node_name}) ✨")
return node_id
# 第三步:通过配置中的试剂信息匹配
debug_print(" 🧪 步骤3: 配置试剂信息匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
# 检查 config 中的 reagent 字段
node_config = G.nodes[node_id].get('config', {})
config_reagent = node_config.get('reagent', '').lower()
if config_reagent and solvent.lower() == config_reagent:
debug_print(f" 🎉 通过config.reagent匹配找到容器: {node_id} (试剂: {config_reagent}) ✨")
return node_id
# 第四步:通过数据中的试剂信息匹配
debug_print(" 🧪 步骤4: 数据试剂信息匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
# 检查 data 中的 reagent_name 字段
reagent_name = vessel_data.get('reagent_name', '').lower()
if reagent_name and solvent.lower() == reagent_name:
debug_print(f" 🎉 通过data.reagent_name匹配找到容器: {node_id} (试剂: {reagent_name}) ✨")
return node_id
# 检查 data 中的液体信息
liquids = vessel_data.get('liquid', [])
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
if solvent.lower() in liquid_type:
debug_print(f" 🎉 通过液体类型匹配找到容器: {node_id} (液体类型: {liquid_type}) ✨")
return node_id
# 第五步:部分匹配(如果前面都没找到)
debug_print(" 🔍 步骤5: 部分匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_config = G.nodes[node_id].get('config', {})
node_data = G.nodes[node_id].get('data', {})
node_name = G.nodes[node_id].get('name', '').lower()
config_reagent = node_config.get('reagent', '').lower()
data_reagent = node_data.get('reagent_name', '').lower()
# 检查是否包含溶剂名称
if (solvent.lower() in config_reagent or
solvent.lower() in data_reagent or
solvent.lower() in node_name or
solvent.lower() in node_id.lower()):
debug_print(f" 🎉 通过部分匹配找到容器: {node_id}")
debug_print(f" - 节点名称: {node_name}")
debug_print(f" - 配置试剂: {config_reagent}")
debug_print(f" - 数据试剂: {data_reagent}")
return node_id
# 调试信息:列出所有容器
debug_print(" 🔎 调试信息:列出所有容器...")
container_list = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_config = G.nodes[node_id].get('config', {})
node_data = G.nodes[node_id].get('data', {})
node_name = G.nodes[node_id].get('name', '')
container_info = {
'id': node_id,
'name': node_name,
'config_reagent': node_config.get('reagent', ''),
'data_reagent': node_data.get('reagent_name', '')
}
container_list.append(container_info)
debug_print(f" - 容器: {node_id}, 名称: {node_name}, config试剂: {node_config.get('reagent', '')}, data试剂: {node_data.get('reagent_name', '')}")
debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器 😭")
debug_print(f"🔍 查找的溶剂: '{solvent}' (小写: '{solvent.lower()}')")
debug_print(f"📊 总共发现 {len(container_list)} 个容器")
raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器")
def generate_recrystallize_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改:从字符串改为字典类型
ratio: str,
solvent1: str,
solvent2: str,
volume: Union[str, float], # 支持字符串和数值
**kwargs
) -> List[Dict[str, Any]]:
"""
生成重结晶协议序列 - 支持vessel字典和体积运算
Args:
G: 有向图,节点为容器和设备
vessel: 目标容器字典从XDL传入
ratio: 溶剂比例(如 "1:1", "3:7"
solvent1: 第一种溶剂名称
solvent2: 第二种溶剂名称
volume: 总体积(支持 "100 mL", "50", "2.5 L" 等)
**kwargs: 其他可选参数
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
action_sequence = []
debug_print("💎" * 20)
debug_print("🚀 开始生成重结晶协议支持vessel字典和体积运算")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" ⚖️ 比例: {ratio}")
debug_print(f" 🧪 溶剂1: {solvent1}")
debug_print(f" 🧪 溶剂2: {solvent2}")
debug_print(f" 💧 总体积: {volume} (类型: {type(volume)})")
debug_print("💎" * 20)
# 🔧 新增:记录重结晶前的容器状态
debug_print("🔍 记录重结晶前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
debug_print(f"📊 重结晶前液体体积: {original_liquid_volume:.2f}mL")
# 1. 验证目标容器存在
debug_print("📍 步骤1: 验证目标容器... 🔧")
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print(f"❌ 目标容器 '{vessel_id}' 不存在于系统中! 😱")
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
debug_print(f"✅ 目标容器 '{vessel_id}' 验证通过 🎯")
# 2. 解析体积(支持单位)
debug_print("📍 步骤2: 解析体积(支持单位)... 💧")
final_volume = parse_volume_with_units(volume, "mL")
debug_print(f"🎯 体积解析完成: {volume}{final_volume}mL ✨")
# 3. 解析比例
debug_print("📍 步骤3: 解析比例... ⚖️")
ratio1, ratio2 = parse_ratio(ratio)
total_ratio = ratio1 + ratio2
debug_print(f"🎯 比例解析完成: {ratio1}:{ratio2} (总比例: {total_ratio}) ✨")
# 4. 计算各溶剂体积
debug_print("📍 步骤4: 计算各溶剂体积... 🧮")
volume1 = final_volume * (ratio1 / total_ratio)
volume2 = final_volume * (ratio2 / total_ratio)
debug_print(f"🧪 {solvent1} 体积: {volume1:.2f} mL ({ratio1}/{total_ratio} × {final_volume})")
debug_print(f"🧪 {solvent2} 体积: {volume2:.2f} mL ({ratio2}/{total_ratio} × {final_volume})")
debug_print(f"✅ 体积计算完成: 总计 {volume1 + volume2:.2f} mL 🎯")
# 5. 查找溶剂容器
debug_print("📍 步骤5: 查找溶剂容器... 🔍")
try:
debug_print(f" 🔍 查找溶剂1容器...")
solvent1_vessel = find_solvent_vessel(G, solvent1)
debug_print(f" 🎉 找到溶剂1容器: {solvent1_vessel}")
except ValueError as e:
debug_print(f" ❌ 溶剂1容器查找失败: {str(e)} 😭")
raise ValueError(f"无法找到溶剂1 '{solvent1}': {str(e)}")
try:
debug_print(f" 🔍 查找溶剂2容器...")
solvent2_vessel = find_solvent_vessel(G, solvent2)
debug_print(f" 🎉 找到溶剂2容器: {solvent2_vessel}")
except ValueError as e:
debug_print(f" ❌ 溶剂2容器查找失败: {str(e)} 😭")
raise ValueError(f"无法找到溶剂2 '{solvent2}': {str(e)}")
# 6. 验证路径存在
debug_print("📍 步骤6: 验证传输路径... 🛤️")
try:
path1 = nx.shortest_path(G, source=solvent1_vessel, target=vessel_id) # 🔧 使用 vessel_id
debug_print(f" 🛤️ 溶剂1路径: {''.join(path1)}")
except nx.NetworkXNoPath:
debug_print(f" ❌ 溶剂1路径不可达: {solvent1_vessel}{vessel_id} 😞")
raise ValueError(f"从溶剂1容器 '{solvent1_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
try:
path2 = nx.shortest_path(G, source=solvent2_vessel, target=vessel_id) # 🔧 使用 vessel_id
debug_print(f" 🛤️ 溶剂2路径: {''.join(path2)}")
except nx.NetworkXNoPath:
debug_print(f" ❌ 溶剂2路径不可达: {solvent2_vessel}{vessel_id} 😞")
raise ValueError(f"从溶剂2容器 '{solvent2_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
# 7. 添加第一种溶剂
debug_print("📍 步骤7: 添加第一种溶剂... 🧪")
debug_print(f" 🚰 开始添加溶剂1: {solvent1} ({volume1:.2f} mL)")
try:
pump_actions1 = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent1_vessel,
to_vessel=vessel_id, # 🔧 使用 vessel_id
volume=volume1, # 使用解析后的体积
amount="",
time=0.0,
viscous=False,
rinsing_solvent="", # 重结晶不需要清洗
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.0, # 正常流速
transfer_flowrate=0.5
)
action_sequence.extend(pump_actions1)
debug_print(f" ✅ 溶剂1泵送动作已添加: {len(pump_actions1)} 个动作 🚰✨")
except Exception as e:
debug_print(f" ❌ 溶剂1泵协议生成失败: {str(e)} 😭")
raise ValueError(f"生成溶剂1泵协议时出错: {str(e)}")
# 🔧 新增:更新容器体积 - 添加溶剂1后
debug_print(" 🔧 更新容器体积 - 添加溶剂1后...")
new_volume_after_solvent1 = original_liquid_volume + volume1
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume_after_solvent1
else:
vessel["data"]["liquid_volume"] = [new_volume_after_solvent1]
else:
vessel["data"]["liquid_volume"] = new_volume_after_solvent1
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume_after_solvent1
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume_after_solvent1]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume_after_solvent1
debug_print(f" 📊 体积更新: {original_liquid_volume:.2f}mL + {volume1:.2f}mL = {new_volume_after_solvent1:.2f}mL")
# 8. 等待溶剂1稳定
debug_print(" ⏳ 添加溶剂1稳定等待...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 5.0, # 缩短等待时间
"description": f"等待溶剂1 {solvent1} 稳定"
}
})
debug_print(" ✅ 溶剂1稳定等待已添加 ⏰✨")
# 9. 添加第二种溶剂
debug_print("📍 步骤8: 添加第二种溶剂... 🧪")
debug_print(f" 🚰 开始添加溶剂2: {solvent2} ({volume2:.2f} mL)")
try:
pump_actions2 = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent2_vessel,
to_vessel=vessel_id, # 🔧 使用 vessel_id
volume=volume2, # 使用解析后的体积
amount="",
time=0.0,
viscous=False,
rinsing_solvent="", # 重结晶不需要清洗
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.0, # 正常流速
transfer_flowrate=0.5
)
action_sequence.extend(pump_actions2)
debug_print(f" ✅ 溶剂2泵送动作已添加: {len(pump_actions2)} 个动作 🚰✨")
except Exception as e:
debug_print(f" ❌ 溶剂2泵协议生成失败: {str(e)} 😭")
raise ValueError(f"生成溶剂2泵协议时出错: {str(e)}")
# 🔧 新增:更新容器体积 - 添加溶剂2后
debug_print(" 🔧 更新容器体积 - 添加溶剂2后...")
final_liquid_volume = new_volume_after_solvent1 + volume2
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = final_liquid_volume
else:
vessel["data"]["liquid_volume"] = [final_liquid_volume]
else:
vessel["data"]["liquid_volume"] = final_liquid_volume
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = final_liquid_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [final_liquid_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = final_liquid_volume
debug_print(f" 📊 最终体积: {new_volume_after_solvent1:.2f}mL + {volume2:.2f}mL = {final_liquid_volume:.2f}mL")
# 10. 等待溶剂2稳定
debug_print(" ⏳ 添加溶剂2稳定等待...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 5.0, # 缩短等待时间
"description": f"等待溶剂2 {solvent2} 稳定"
}
})
debug_print(" ✅ 溶剂2稳定等待已添加 ⏰✨")
# 11. 等待重结晶完成
debug_print("📍 步骤9: 等待重结晶完成... 💎")
# 模拟运行时间优化
debug_print(" ⏱️ 检查模拟运行时间限制...")
original_crystallize_time = 600.0 # 原始重结晶时间
simulation_time_limit = 60.0 # 模拟运行时间限制60秒
final_crystallize_time = min(original_crystallize_time, simulation_time_limit)
if original_crystallize_time > simulation_time_limit:
debug_print(f" 🎮 模拟运行优化: {original_crystallize_time}s → {final_crystallize_time}s ⚡")
debug_print(f" 📊 时间缩短: {original_crystallize_time/60:.1f}分钟 → {final_crystallize_time/60:.1f}分钟 🚀")
else:
debug_print(f" ✅ 时间在限制内: {final_crystallize_time}s 保持不变 🎯")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": final_crystallize_time,
"description": f"等待重结晶完成({solvent1}:{solvent2} = {ratio},总体积 {final_volume}mL" + (f" (模拟时间)" if original_crystallize_time != final_crystallize_time else "")
}
})
debug_print(f" ✅ 重结晶等待已添加: {final_crystallize_time}s 💎✨")
# 显示时间调整信息
if original_crystallize_time != final_crystallize_time:
debug_print(f" 🎭 模拟优化说明: 原计划 {original_crystallize_time/60:.1f}分钟,实际模拟 {final_crystallize_time/60:.1f}分钟 ⚡")
# 总结
debug_print("💎" * 20)
debug_print(f"🎉 重结晶协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)}")
debug_print(f"🥽 目标容器: {vessel_id}")
debug_print(f"💧 总体积变化:")
debug_print(f" - 原始体积: {original_liquid_volume:.2f}mL")
debug_print(f" - 添加溶剂: {final_volume:.2f}mL")
debug_print(f" - 最终体积: {final_liquid_volume:.2f}mL")
debug_print(f"⚖️ 溶剂比例: {solvent1}:{solvent2} = {ratio1}:{ratio2}")
debug_print(f"🧪 溶剂1: {solvent1} ({volume1:.2f}mL)")
debug_print(f"🧪 溶剂2: {solvent2} ({volume2:.2f}mL)")
debug_print(f"⏱️ 预计总时间: {(final_crystallize_time + 10)/60:.1f} 分钟 ⌛")
debug_print("💎" * 20)
return action_sequence
# 测试函数
def test_recrystallize_protocol():
"""测试重结晶协议"""
debug_print("🧪 === RECRYSTALLIZE PROTOCOL 测试 === ✨")
# 测试体积解析
debug_print("💧 测试体积解析...")
test_volumes = ["100 mL", "2.5 L", "500", "50.5", "?", "invalid"]
for vol in test_volumes:
parsed = parse_volume_with_units(vol)
debug_print(f" 📊 体积 '{vol}' -> {parsed}mL")
# 测试比例解析
debug_print("⚖️ 测试比例解析...")
test_ratios = ["1:1", "3:7", "50:50", "1-1", "2,8", "invalid"]
for ratio in test_ratios:
r1, r2 = parse_ratio(ratio)
debug_print(f" 📊 比例 '{ratio}' -> {r1}:{r2}")
debug_print("✅ 测试完成 🎉")
if __name__ == "__main__":
test_recrystallize_protocol()

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import networkx as nx
import logging
import sys
from typing import List, Dict, Any, Optional
from .pump_protocol import generate_pump_protocol_with_rinsing
# 设置日志
logger = logging.getLogger(__name__)
# 确保输出编码为UTF-8
if hasattr(sys.stdout, 'reconfigure'):
try:
sys.stdout.reconfigure(encoding='utf-8')
sys.stderr.reconfigure(encoding='utf-8')
except:
pass
def debug_print(message):
"""调试输出函数 - 支持中文"""
try:
# 确保消息是字符串格式
safe_message = str(message)
print(f"[重置处理] {safe_message}", flush=True)
logger.info(f"[重置处理] {safe_message}")
except UnicodeEncodeError:
# 如果编码失败,尝试替换不支持的字符
safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
print(f"[重置处理] {safe_message}", flush=True)
logger.info(f"[重置处理] {safe_message}")
except Exception as e:
# 最后的安全措施
fallback_message = f"日志输出错误: {repr(message)}"
print(f"[重置处理] {fallback_message}", flush=True)
logger.info(f"[重置处理] {fallback_message}")
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
"""创建一个动作日志 - 支持中文和emoji"""
try:
full_message = f"{emoji} {message}"
debug_print(full_message)
logger.info(full_message)
return {
"action_name": "wait",
"action_kwargs": {
"time": 0.1,
"log_message": full_message,
"progress_message": full_message
}
}
except Exception as e:
# 如果emoji有问题使用纯文本
safe_message = f"[日志] {message}"
debug_print(safe_message)
logger.info(safe_message)
return {
"action_name": "wait",
"action_kwargs": {
"time": 0.1,
"log_message": safe_message,
"progress_message": safe_message
}
}
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
"""
查找溶剂容器,支持多种匹配模式
Args:
G: 网络图
solvent: 溶剂名称(如 "methanol", "ethanol", "water"
Returns:
str: 溶剂容器ID
"""
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器...")
# 构建可能的容器名称
possible_names = [
f"flask_{solvent}", # flask_methanol
f"bottle_{solvent}", # bottle_methanol
f"reagent_{solvent}", # reagent_methanol
f"reagent_bottle_{solvent}", # reagent_bottle_methanol
f"{solvent}_flask", # methanol_flask
f"{solvent}_bottle", # methanol_bottle
f"{solvent}", # methanol
f"vessel_{solvent}", # vessel_methanol
]
debug_print(f"🎯 候选容器名称: {possible_names[:3]}... (共{len(possible_names)}个)")
# 第一步:通过容器名称匹配
debug_print("📋 方法1: 精确名称匹配...")
for vessel_name in possible_names:
if vessel_name in G.nodes():
debug_print(f"✅ 通过名称匹配找到容器: {vessel_name}")
return vessel_name
debug_print("⚠️ 精确名称匹配失败,尝试模糊匹配...")
# 第二步:通过模糊匹配
debug_print("📋 方法2: 模糊名称匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_name = G.nodes[node_id].get('name', '').lower()
# 检查是否包含溶剂名称
if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
debug_print(f"✅ 通过模糊匹配找到容器: {node_id}")
return node_id
debug_print("⚠️ 模糊匹配失败,尝试液体类型匹配...")
# 第三步:通过液体类型匹配
debug_print("📋 方法3: 液体类型匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
reagent_name = vessel_data.get('reagent_name', '').lower()
if solvent.lower() in liquid_type or solvent.lower() in reagent_name:
debug_print(f"✅ 通过液体类型匹配找到容器: {node_id}")
return node_id
# 列出可用容器帮助调试
debug_print("📊 显示可用容器信息...")
available_containers = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
for liquid in liquids if isinstance(liquid, dict)]
available_containers.append({
'id': node_id,
'name': G.nodes[node_id].get('name', ''),
'liquids': liquid_types,
'reagent_name': vessel_data.get('reagent_name', '')
})
debug_print(f"📋 可用容器列表 (共{len(available_containers)}个):")
for i, container in enumerate(available_containers[:5]): # 只显示前5个
debug_print(f" {i+1}. 🥽 {container['id']}: {container['name']}")
debug_print(f" 💧 液体: {container['liquids']}")
debug_print(f" 🧪 试剂: {container['reagent_name']}")
if len(available_containers) > 5:
debug_print(f" ... 还有 {len(available_containers)-5} 个容器")
debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器")
raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器。尝试了: {possible_names[:3]}...")
def generate_reset_handling_protocol(
G: nx.DiGraph,
solvent: str,
vessel: Optional[str] = None, # 🆕 新增可选vessel参数
**kwargs # 接收其他可能的参数但不使用
) -> List[Dict[str, Any]]:
"""
生成重置处理协议序列 - 支持自定义容器
Args:
G: 有向图,节点为容器和设备
solvent: 溶剂名称从XDL传入
vessel: 目标容器名称(可选,默认为 "main_reactor"
**kwargs: 其他可选参数,但不使用
Returns:
List[Dict[str, Any]]: 动作序列
"""
action_sequence = []
# 🔧 修改支持自定义vessel参数
target_vessel = vessel if vessel is not None else "main_reactor" # 默认目标容器
volume = 50.0 # 默认体积 50 mL
debug_print("=" * 60)
debug_print("🚀 开始生成重置处理协议")
debug_print(f"📋 输入参数:")
debug_print(f" 🧪 溶剂: {solvent}")
debug_print(f" 🥽 目标容器: {target_vessel} {'(默认)' if vessel is None else '(指定)'}")
debug_print(f" 💧 体积: {volume} mL")
debug_print(f" ⚙️ 其他参数: {kwargs}")
debug_print("=" * 60)
# 添加初始日志
action_sequence.append(create_action_log(f"开始重置处理操作 - 容器: {target_vessel}", "🎬"))
action_sequence.append(create_action_log(f"使用溶剂: {solvent}", "🧪"))
action_sequence.append(create_action_log(f"重置体积: {volume}mL", "💧"))
if vessel is None:
action_sequence.append(create_action_log("使用默认目标容器: main_reactor", "⚙️"))
else:
action_sequence.append(create_action_log(f"使用指定目标容器: {vessel}", "🎯"))
# 1. 验证目标容器存在
debug_print("🔍 步骤1: 验证目标容器...")
action_sequence.append(create_action_log("正在验证目标容器...", "🔍"))
if target_vessel not in G.nodes():
debug_print(f"❌ 目标容器 '{target_vessel}' 不存在于系统中!")
action_sequence.append(create_action_log(f"目标容器 '{target_vessel}' 不存在", ""))
raise ValueError(f"目标容器 '{target_vessel}' 不存在于系统中")
debug_print(f"✅ 目标容器 '{target_vessel}' 验证通过")
action_sequence.append(create_action_log(f"目标容器验证通过: {target_vessel}", ""))
# 2. 查找溶剂容器
debug_print("🔍 步骤2: 查找溶剂容器...")
action_sequence.append(create_action_log("正在查找溶剂容器...", "🔍"))
try:
solvent_vessel = find_solvent_vessel(G, solvent)
debug_print(f"✅ 找到溶剂容器: {solvent_vessel}")
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", ""))
except ValueError as e:
debug_print(f"❌ 溶剂容器查找失败: {str(e)}")
action_sequence.append(create_action_log(f"溶剂容器查找失败: {str(e)}", ""))
raise ValueError(f"无法找到溶剂 '{solvent}': {str(e)}")
# 3. 验证路径存在
debug_print("🔍 步骤3: 验证传输路径...")
action_sequence.append(create_action_log("正在验证传输路径...", "🛤️"))
try:
path = nx.shortest_path(G, source=solvent_vessel, target=target_vessel)
debug_print(f"✅ 找到路径: {''.join(path)}")
action_sequence.append(create_action_log(f"传输路径: {''.join(path)}", "🛤️"))
except nx.NetworkXNoPath:
debug_print(f"❌ 路径不可达: {solvent_vessel}{target_vessel}")
action_sequence.append(create_action_log(f"路径不可达: {solvent_vessel}{target_vessel}", ""))
raise ValueError(f"从溶剂容器 '{solvent_vessel}' 到目标容器 '{target_vessel}' 没有可用路径")
# 4. 使用pump_protocol转移溶剂
debug_print("🔍 步骤4: 转移溶剂...")
action_sequence.append(create_action_log("开始溶剂转移操作...", "🚰"))
debug_print(f"🚛 开始转移: {solvent_vessel}{target_vessel}")
debug_print(f"💧 转移体积: {volume} mL")
action_sequence.append(create_action_log(f"转移: {solvent_vessel}{target_vessel} ({volume}mL)", "🚛"))
try:
debug_print("🔄 生成泵送协议...")
action_sequence.append(create_action_log("正在生成泵送协议...", "🔄"))
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent_vessel,
to_vessel=target_vessel,
volume=volume,
amount="",
time=0.0,
viscous=False,
rinsing_solvent="", # 重置处理不需要清洗
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.5, # 正常流速
transfer_flowrate=0.5 # 正常转移流速
)
action_sequence.extend(pump_actions)
debug_print(f"✅ 泵送协议已添加: {len(pump_actions)} 个动作")
action_sequence.append(create_action_log(f"泵送协议完成 ({len(pump_actions)} 个操作)", ""))
except Exception as e:
debug_print(f"❌ 泵送协议生成失败: {str(e)}")
action_sequence.append(create_action_log(f"泵送协议生成失败: {str(e)}", ""))
raise ValueError(f"生成泵协议时出错: {str(e)}")
# 5. 等待溶剂稳定
debug_print("🔍 步骤5: 等待溶剂稳定...")
action_sequence.append(create_action_log("等待溶剂稳定...", ""))
# 模拟运行时间优化
debug_print("⏱️ 检查模拟运行时间限制...")
original_wait_time = 10.0 # 原始等待时间
simulation_time_limit = 5.0 # 模拟运行时间限制5秒
final_wait_time = min(original_wait_time, simulation_time_limit)
if original_wait_time > simulation_time_limit:
debug_print(f"🎮 模拟运行优化: {original_wait_time}s → {final_wait_time}s")
action_sequence.append(create_action_log(f"时间优化: {original_wait_time}s → {final_wait_time}s", ""))
else:
debug_print(f"✅ 时间在限制内: {final_wait_time}s 保持不变")
action_sequence.append(create_action_log(f"等待时间: {final_wait_time}s", ""))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": final_wait_time,
"description": f"等待溶剂 {solvent} 在容器 {target_vessel} 中稳定" + (f" (模拟时间)" if original_wait_time != final_wait_time else "")
}
})
debug_print(f"✅ 稳定等待已添加: {final_wait_time}s")
# 显示时间调整信息
if original_wait_time != final_wait_time:
debug_print(f"🎭 模拟优化说明: 原计划 {original_wait_time}s实际模拟 {final_wait_time}s")
action_sequence.append(create_action_log("应用模拟时间优化", "🎭"))
# 总结
debug_print("=" * 60)
debug_print(f"🎉 重置处理协议生成完成!")
debug_print(f"📊 总结信息:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" 🧪 溶剂: {solvent}")
debug_print(f" 🥽 源容器: {solvent_vessel}")
debug_print(f" 🥽 目标容器: {target_vessel} {'(默认)' if vessel is None else '(指定)'}")
debug_print(f" 💧 转移体积: {volume} mL")
debug_print(f" ⏱️ 预计总时间: {(final_wait_time + 5):.0f}")
debug_print(f" 🎯 操作结果: 已添加 {volume} mL {solvent}{target_vessel}")
debug_print("=" * 60)
# 添加完成日志
summary_msg = f"重置处理完成: {target_vessel} (使用 {volume}mL {solvent})"
if vessel is None:
summary_msg += " [默认容器]"
else:
summary_msg += " [指定容器]"
action_sequence.append(create_action_log(summary_msg, "🎉"))
return action_sequence
# === 便捷函数 ===
def reset_main_reactor(G: nx.DiGraph, solvent: str = "methanol", **kwargs) -> List[Dict[str, Any]]:
"""重置主反应器 (默认行为)"""
debug_print(f"🔄 重置主反应器,使用溶剂: {solvent}")
return generate_reset_handling_protocol(G, solvent=solvent, vessel=None, **kwargs)
def reset_custom_vessel(G: nx.DiGraph, vessel: str, solvent: str = "methanol", **kwargs) -> List[Dict[str, Any]]:
"""重置指定容器"""
debug_print(f"🔄 重置指定容器: {vessel},使用溶剂: {solvent}")
return generate_reset_handling_protocol(G, solvent=solvent, vessel=vessel, **kwargs)
def reset_with_water(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
"""使用水重置容器"""
target = vessel or "main_reactor"
debug_print(f"💧 使用水重置容器: {target}")
return generate_reset_handling_protocol(G, solvent="water", vessel=vessel, **kwargs)
def reset_with_methanol(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
"""使用甲醇重置容器"""
target = vessel or "main_reactor"
debug_print(f"🧪 使用甲醇重置容器: {target}")
return generate_reset_handling_protocol(G, solvent="methanol", vessel=vessel, **kwargs)
def reset_with_ethanol(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
"""使用乙醇重置容器"""
target = vessel or "main_reactor"
debug_print(f"🧪 使用乙醇重置容器: {target}")
return generate_reset_handling_protocol(G, solvent="ethanol", vessel=vessel, **kwargs)
# 测试函数
def test_reset_handling_protocol():
"""测试重置处理协议"""
debug_print("=== 重置处理协议增强中文版测试 ===")
# 测试溶剂名称
debug_print("🧪 测试常用溶剂名称...")
test_solvents = ["methanol", "ethanol", "water", "acetone", "dmso"]
for solvent in test_solvents:
debug_print(f" 🔍 测试溶剂: {solvent}")
# 测试容器参数
debug_print("🥽 测试容器参数...")
test_cases = [
{"solvent": "methanol", "vessel": None, "desc": "默认容器"},
{"solvent": "ethanol", "vessel": "reactor_2", "desc": "指定容器"},
{"solvent": "water", "vessel": "flask_1", "desc": "自定义容器"}
]
for case in test_cases:
debug_print(f" 🧪 测试案例: {case['desc']} - {case['solvent']} -> {case['vessel'] or 'main_reactor'}")
debug_print("✅ 测试完成")
if __name__ == "__main__":
test_reset_handling_protocol()

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import numpy as np
import networkx as nx
import re
import logging
import sys
from typing import List, Dict, Any, Union
from .pump_protocol import generate_pump_protocol_with_rinsing
logger = logging.getLogger(__name__)
# 确保输出编码为UTF-8
if hasattr(sys.stdout, 'reconfigure'):
try:
sys.stdout.reconfigure(encoding='utf-8')
sys.stderr.reconfigure(encoding='utf-8')
except:
pass
def debug_print(message):
"""调试输出函数 - 支持中文"""
try:
# 确保消息是字符串格式
safe_message = str(message)
print(f"🌀 [SEPARATE] {safe_message}", flush=True)
logger.info(f"[SEPARATE] {safe_message}")
except UnicodeEncodeError:
# 如果编码失败,尝试替换不支持的字符
safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
print(f"🌀 [SEPARATE] {safe_message}", flush=True)
logger.info(f"[SEPARATE] {safe_message}")
except Exception as e:
# 最后的安全措施
fallback_message = f"日志输出错误: {repr(message)}"
print(f"🌀 [SEPARATE] {fallback_message}", flush=True)
logger.info(f"[SEPARATE] {fallback_message}")
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
"""创建一个动作日志 - 支持中文和emoji"""
try:
full_message = f"{emoji} {message}"
debug_print(full_message)
logger.info(full_message)
return {
"action_name": "wait",
"action_kwargs": {
"time": 0.1,
"log_message": full_message,
"progress_message": full_message
}
}
except Exception as e:
# 如果emoji有问题使用纯文本
safe_message = f"[日志] {message}"
debug_print(safe_message)
logger.info(safe_message)
return {
"action_name": "wait",
"action_kwargs": {
"time": 0.1,
"log_message": safe_message,
"progress_message": safe_message
}
}
def parse_volume_input(volume_input: Union[str, float]) -> float:
"""
解析体积输入,支持带单位的字符串
Args:
volume_input: 体积输入(如 "200 mL", "?", 50.0
Returns:
float: 体积(毫升)
"""
if isinstance(volume_input, (int, float)):
debug_print(f"📏 体积输入为数值: {volume_input}")
return float(volume_input)
if not volume_input or not str(volume_input).strip():
debug_print(f"⚠️ 体积输入为空,返回 0.0mL")
return 0.0
volume_str = str(volume_input).lower().strip()
debug_print(f"🔍 解析体积输入: '{volume_str}'")
# 处理未知体积
if volume_str in ['?', 'unknown', 'tbd', 'to be determined', '未知', '待定']:
default_volume = 100.0 # 默认100mL
debug_print(f"❓ 检测到未知体积,使用默认值: {default_volume}mL")
return default_volume
# 移除空格并提取数字和单位
volume_clean = re.sub(r'\s+', '', volume_str)
# 匹配数字和单位的正则表达式
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter|毫升|升|微升)?', volume_clean)
if not match:
debug_print(f"⚠️ 无法解析体积: '{volume_str}',使用默认值 100mL")
return 100.0
value = float(match.group(1))
unit = match.group(2) or 'ml' # 默认单位为毫升
# 转换为毫升
if unit in ['l', 'liter', '']:
volume = value * 1000.0 # L -> mL
debug_print(f"🔄 体积转换: {value}L -> {volume}mL")
elif unit in ['μl', 'ul', 'microliter', '微升']:
volume = value / 1000.0 # μL -> mL
debug_print(f"🔄 体积转换: {value}μL -> {volume}mL")
else: # ml, milliliter, 毫升 或默认
volume = value # 已经是mL
debug_print(f"✅ 体积已为毫升单位: {volume}mL")
return volume
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
"""查找溶剂容器,支持多种匹配模式"""
if not solvent or not solvent.strip():
debug_print("⏭️ 未指定溶剂,跳过溶剂容器查找")
return ""
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器...")
# 🔧 方法1直接搜索 data.reagent_name 和 config.reagent
debug_print(f"📋 方法1: 搜索试剂字段...")
for node in G.nodes():
node_data = G.nodes[node].get('data', {})
node_type = G.nodes[node].get('type', '')
config_data = G.nodes[node].get('config', {})
# 只搜索容器类型的节点
if node_type == 'container':
reagent_name = node_data.get('reagent_name', '').lower()
config_reagent = config_data.get('reagent', '').lower()
# 精确匹配
if reagent_name == solvent.lower() or config_reagent == solvent.lower():
debug_print(f"✅ 通过试剂字段精确匹配找到容器: {node}")
return node
# 模糊匹配
if (solvent.lower() in reagent_name and reagent_name) or \
(solvent.lower() in config_reagent and config_reagent):
debug_print(f"✅ 通过试剂字段模糊匹配找到容器: {node}")
return node
# 🔧 方法2常见的容器命名规则
debug_print(f"📋 方法2: 使用命名规则...")
solvent_clean = solvent.lower().replace(' ', '_').replace('-', '_')
possible_names = [
f"flask_{solvent_clean}",
f"bottle_{solvent_clean}",
f"vessel_{solvent_clean}",
f"{solvent_clean}_flask",
f"{solvent_clean}_bottle",
f"solvent_{solvent_clean}",
f"reagent_{solvent_clean}",
f"reagent_bottle_{solvent_clean}",
f"reagent_bottle_1", # 通用试剂瓶
f"reagent_bottle_2",
f"reagent_bottle_3"
]
debug_print(f"🎯 尝试的容器名称: {possible_names[:5]}... (共 {len(possible_names)} 个)")
for name in possible_names:
if name in G.nodes():
node_type = G.nodes[name].get('type', '')
if node_type == 'container':
debug_print(f"✅ 通过命名规则找到容器: {name}")
return name
# 🔧 方法3使用第一个试剂瓶作为备选
debug_print(f"📋 方法3: 查找备用试剂瓶...")
for node_id in G.nodes():
node_data = G.nodes[node_id]
if (node_data.get('type') == 'container' and
('reagent' in node_id.lower() or 'bottle' in node_id.lower())):
debug_print(f"⚠️ 未找到专用容器,使用备用容器: {node_id}")
return node_id
debug_print(f"❌ 无法找到溶剂 '{solvent}' 的容器")
return ""
def find_separator_device(G: nx.DiGraph, vessel: str) -> str:
"""查找分离器设备,支持多种查找方式"""
debug_print(f"🔍 正在查找容器 '{vessel}' 的分离器设备...")
# 方法1查找连接到容器的分离器设备
debug_print(f"📋 方法1: 检查连接的分离器...")
separator_nodes = []
for node in G.nodes():
node_class = G.nodes[node].get('class', '').lower()
if 'separator' in node_class:
separator_nodes.append(node)
debug_print(f"📋 发现分离器设备: {node}")
# 检查是否连接到目标容器
if G.has_edge(node, vessel) or G.has_edge(vessel, node):
debug_print(f"✅ 找到连接的分离器: {node}")
return node
debug_print(f"📊 找到的分离器总数: {len(separator_nodes)}")
# 方法2根据命名规则查找
debug_print(f"📋 方法2: 使用命名规则...")
possible_names = [
f"{vessel}_controller",
f"{vessel}_separator",
vessel, # 容器本身可能就是分离器
"separator_1",
"virtual_separator",
"liquid_handler_1", # 液体处理器也可能用于分离
"controller_1"
]
debug_print(f"🎯 尝试的分离器名称: {possible_names}")
for name in possible_names:
if name in G.nodes():
node_class = G.nodes[name].get('class', '').lower()
if 'separator' in node_class or 'controller' in node_class:
debug_print(f"✅ 通过命名规则找到分离器: {name}")
return name
# 方法3查找第一个分离器设备
debug_print(f"📋 方法3: 使用第一个可用分离器...")
if separator_nodes:
debug_print(f"⚠️ 使用第一个分离器设备: {separator_nodes[0]}")
return separator_nodes[0]
debug_print(f"❌ 未找到分离器设备")
return ""
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
"""查找连接到指定容器的搅拌器"""
debug_print(f"🔍 正在查找与容器 {vessel} 连接的搅拌器...")
stirrer_nodes = []
for node in G.nodes():
node_data = G.nodes[node]
node_class = node_data.get('class', '') or ''
if 'stirrer' in node_class.lower():
stirrer_nodes.append(node)
debug_print(f"📋 发现搅拌器: {node}")
debug_print(f"📊 找到的搅拌器总数: {len(stirrer_nodes)}")
# 检查哪个搅拌器与目标容器相连
for stirrer in stirrer_nodes:
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
debug_print(f"✅ 找到连接的搅拌器: {stirrer}")
return stirrer
# 如果没有连接的搅拌器,返回第一个可用的
if stirrer_nodes:
debug_print(f"⚠️ 未找到直接连接的搅拌器,使用第一个可用的: {stirrer_nodes[0]}")
return stirrer_nodes[0]
debug_print("❌ 未找到搅拌器")
return ""
def get_vessel_liquid_volume(vessel: dict) -> float:
"""
获取容器中的液体体积 - 支持vessel字典
Args:
vessel: 容器字典
Returns:
float: 液体体积mL
"""
if not vessel or "data" not in vessel:
debug_print(f"⚠️ 容器数据为空,返回 0.0mL")
return 0.0
vessel_data = vessel["data"]
vessel_id = vessel.get("id", "unknown")
debug_print(f"🔍 读取容器 '{vessel_id}' 体积数据: {vessel_data}")
# 检查liquid_volume字段
if "liquid_volume" in vessel_data:
liquid_volume = vessel_data["liquid_volume"]
# 处理列表格式
if isinstance(liquid_volume, list):
if len(liquid_volume) > 0:
volume = liquid_volume[0]
if isinstance(volume, (int, float)):
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (列表格式)")
return float(volume)
# 处理直接数值格式
elif isinstance(liquid_volume, (int, float)):
debug_print(f"✅ 容器 '{vessel_id}' 体积: {liquid_volume}mL (数值格式)")
return float(liquid_volume)
# 检查其他可能的体积字段
volume_keys = ['current_volume', 'total_volume', 'volume']
for key in volume_keys:
if key in vessel_data:
try:
volume = float(vessel_data[key])
if volume > 0:
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (字段: {key})")
return volume
except (ValueError, TypeError):
continue
debug_print(f"⚠️ 无法获取容器 '{vessel_id}' 的体积,返回默认值 50.0mL")
return 50.0
def update_vessel_volume(vessel: dict, G: nx.DiGraph, new_volume: float, description: str = "") -> None:
"""
更新容器体积同时更新vessel字典和图节点
Args:
vessel: 容器字典
G: 网络图
new_volume: 新体积
description: 更新描述
"""
vessel_id = vessel.get("id", "unknown")
if description:
debug_print(f"🔧 更新容器体积 - {description}")
# 更新vessel字典中的体积
if "data" in vessel:
if "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume
else:
vessel["data"]["liquid_volume"] = [new_volume]
else:
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"] = {"liquid_volume": new_volume}
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
debug_print(f"📊 容器 '{vessel_id}' 体积已更新为: {new_volume:.2f}mL")
def generate_separate_protocol(
G: nx.DiGraph,
purpose: str, # 'wash' or 'extract'. 'wash' means that product phase will not be the added solvent phase, 'extract' means product phase will be the added solvent phase. If no solvent is added just use 'extract'.
product_phase: str, # 'top' or 'bottom'. Phase that product will be in.
from_vessel: str, #Contents of from_vessel are transferred to separation_vessel and separation is performed.
separation_vessel: str, # Vessel in which separation of phases will be carried out.
to_vessel: str, # Vessel to send product phase to.
waste_phase_to_vessel: str, # Optional. Vessel to send waste phase to.
solvent: str, # Optional. Solvent to add to separation vessel after contents of from_vessel has been transferred to create two phases.
solvent_volume: float = 50, # Optional. Volume of solvent to add (mL).
through: str = "", # Optional. Solid chemical to send product phase through on way to to_vessel, e.g. 'celite'.
repeats: int = 1, # Optional. Number of separations to perform.
stir_time: float = 30, # Optional. Time stir for after adding solvent, before separation of phases.
stir_speed: float = 300, # Optional. Speed to stir at after adding solvent, before separation of phases.
settling_time: float = 300 # Optional. Time
) -> list[dict]:
G: nx.DiGraph,
# 🔧 基础参数支持XDL的vessel参数
vessel: dict = None, # 🔧 修改:从字符串改为字典类型
purpose: str = "separate", # 分离目的
product_phase: str = "top", # 产物相
# 🔧 可选的详细参数
from_vessel: Union[str, dict] = "", # 源容器通常在separate前已经transfer了
separation_vessel: Union[str, dict] = "", # 分离容器与vessel同义
to_vessel: Union[str, dict] = "", # 目标容器(可选)
waste_phase_to_vessel: Union[str, dict] = "", # 废相目标容器
product_vessel: Union[str, dict] = "", # XDL: 产物容器与to_vessel同义
waste_vessel: Union[str, dict] = "", # XDL: 废液容器与waste_phase_to_vessel同义
# 🔧 溶剂相关参数
solvent: str = "", # 溶剂名称
solvent_volume: Union[str, float] = 0.0, # 溶剂体积
volume: Union[str, float] = 0.0, # XDL: 体积与solvent_volume同义
# 🔧 操作参数
through: str = "", # 通过材料
repeats: int = 1, # 重复次数
stir_time: float = 30.0, # 搅拌时间(秒)
stir_speed: float = 300.0, # 搅拌速度
settling_time: float = 300.0, # 沉降时间(秒)
**kwargs
) -> List[Dict[str, Any]]:
"""
Generate a protocol to clean a vessel with a solvent.
生成分离操作的协议序列 - 支持vessel字典和体积运算
:param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
:param vessel: Vessel to clean.
:param solvent: Solvent to clean vessel with.
:param volume: Volume of solvent to clean vessel with.
:param temp: Temperature to heat vessel to while cleaning.
:param repeats: Number of cleaning cycles to perform.
:return: List of actions to clean vessel.
支持XDL参数格式
- vessel: 分离容器字典(必需)
- purpose: "wash", "extract", "separate"
- product_phase: "top", "bottom"
- product_vessel: 产物收集容器
- waste_vessel: 废液收集容器
- solvent: 溶剂名称
- volume: "200 mL", "?" 或数值
- repeats: 重复次数
分离流程:
1. (可选)添加溶剂到分离容器
2. 搅拌混合
3. 静置分层
4. 收集指定相到目标容器
5. 重复指定次数
"""
# 生成泵操作的动作序列
pump_action_sequence = []
reactor_volume = 500.0
waste_vessel = waste_phase_to_vessel
# 🔧 核心修改vessel参数兼容处理
if vessel is None:
if isinstance(separation_vessel, dict):
vessel = separation_vessel
else:
raise ValueError("必须提供vessel字典参数")
# TODO通过物料管理系统找到溶剂的容器
if "," in solvent:
solvents = solvent.split(",")
assert len(solvents) == repeats, "Number of solvents must match number of repeats."
# 🔧 核心修改从字典中提取容器ID
# 统一处理vessel参数
if isinstance(vessel, dict):
if "id" not in vessel:
vessel_id = list(vessel.values())[0].get("id", "")
else:
vessel_id = vessel.get("id", "")
vessel_data = vessel.get("data", {})
else:
vessel_id = str(vessel)
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
debug_print("🌀" * 20)
debug_print("🚀 开始生成分离协议支持vessel字典和体积运算")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 🎯 分离目的: '{purpose}'")
debug_print(f" 📊 产物相: '{product_phase}'")
debug_print(f" 💧 溶剂: '{solvent}'")
debug_print(f" 📏 体积: {volume} (类型: {type(volume)})")
debug_print(f" 🔄 重复次数: {repeats}")
debug_print(f" 🎯 产物容器: '{product_vessel}'")
debug_print(f" 🗑️ 废液容器: '{waste_vessel}'")
debug_print(f" 📦 其他参数: {kwargs}")
debug_print("🌀" * 20)
action_sequence = []
# 🔧 新增:记录分离前的容器状态
debug_print("🔍 记录分离前容器状态...")
original_liquid_volume = get_vessel_liquid_volume(vessel)
debug_print(f"📊 分离前液体体积: {original_liquid_volume:.2f}mL")
# === 参数验证和标准化 ===
debug_print("🔍 步骤1: 参数验证和标准化...")
action_sequence.append(create_action_log(f"开始分离操作 - 容器: {vessel_id}", "🎬"))
action_sequence.append(create_action_log(f"分离目的: {purpose}", "🧪"))
action_sequence.append(create_action_log(f"产物相: {product_phase}", "📊"))
# 统一容器参数 - 支持字典和字符串
def extract_vessel_id(vessel_param):
if isinstance(vessel_param, dict):
return vessel_param.get("id", "")
elif isinstance(vessel_param, str):
return vessel_param
else:
return ""
final_vessel_id = vessel_id
final_to_vessel_id = extract_vessel_id(to_vessel) or extract_vessel_id(product_vessel)
final_waste_vessel_id = extract_vessel_id(waste_phase_to_vessel) or extract_vessel_id(waste_vessel)
# 统一体积参数
final_volume = parse_volume_input(volume or solvent_volume)
# 🔧 修复确保repeats至少为1
if repeats <= 0:
repeats = 1
debug_print(f"⚠️ 重复次数参数 <= 0自动设置为 1")
debug_print(f"🔧 标准化后的参数:")
debug_print(f" 🥼 分离容器: '{final_vessel_id}'")
debug_print(f" 🎯 产物容器: '{final_to_vessel_id}'")
debug_print(f" 🗑️ 废液容器: '{final_waste_vessel_id}'")
debug_print(f" 📏 溶剂体积: {final_volume}mL")
debug_print(f" 🔄 重复次数: {repeats}")
action_sequence.append(create_action_log(f"分离容器: {final_vessel_id}", "🧪"))
action_sequence.append(create_action_log(f"溶剂体积: {final_volume}mL", "📏"))
action_sequence.append(create_action_log(f"重复次数: {repeats}", "🔄"))
# 验证必需参数
if not purpose:
purpose = "separate"
if not product_phase:
product_phase = "top"
if purpose not in ["wash", "extract", "separate"]:
debug_print(f"⚠️ 未知的分离目的 '{purpose}',使用默认值 'separate'")
purpose = "separate"
action_sequence.append(create_action_log(f"未知目的,使用: {purpose}", "⚠️"))
if product_phase not in ["top", "bottom"]:
debug_print(f"⚠️ 未知的产物相 '{product_phase}',使用默认值 'top'")
product_phase = "top"
action_sequence.append(create_action_log(f"未知相别,使用: {product_phase}", "⚠️"))
debug_print("✅ 参数验证通过")
action_sequence.append(create_action_log("参数验证通过", ""))
# === 查找设备 ===
debug_print("🔍 步骤2: 查找设备...")
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
# 查找分离器设备
separator_device = find_separator_device(G, final_vessel_id) # 🔧 使用 final_vessel_id
if separator_device:
action_sequence.append(create_action_log(f"找到分离器设备: {separator_device}", "🧪"))
else:
solvents = [solvent] * repeats
debug_print("⚠️ 未找到分离器设备,可能无法执行分离")
action_sequence.append(create_action_log("未找到分离器设备", "⚠️"))
# TODO: 通过设备连接图找到分离容器的控制器、底部出口
separator_controller = f"{separation_vessel}_controller"
separation_vessel_bottom = f"flask_{separation_vessel}"
# 查找搅拌器
stirrer_device = find_connected_stirrer(G, final_vessel_id) # 🔧 使用 final_vessel_id
if stirrer_device:
action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_device}", "🌪️"))
else:
action_sequence.append(create_action_log("未找到搅拌器", "⚠️"))
transfer_flowrate = flowrate = 2.5
# 查找溶剂容器(如果需要)
solvent_vessel = ""
if solvent and solvent.strip():
solvent_vessel = find_solvent_vessel(G, solvent)
if solvent_vessel:
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "💧"))
else:
action_sequence.append(create_action_log(f"未找到溶剂容器: {solvent}", "⚠️"))
if from_vessel != separation_vessel:
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": from_vessel,
"to_vessel": separation_vessel,
"volume": reactor_volume,
"time": reactor_volume / flowrate,
# "transfer_flowrate": transfer_flowrate,
debug_print(f"📊 设备配置:")
debug_print(f" 🧪 分离器设备: '{separator_device}'")
debug_print(f" 🌪️ 搅拌器设备: '{stirrer_device}'")
debug_print(f" 💧 溶剂容器: '{solvent_vessel}'")
# === 执行分离流程 ===
debug_print("🔍 步骤3: 执行分离流程...")
action_sequence.append(create_action_log("开始分离工作流程", "🎯"))
# 🔧 新增:体积变化跟踪变量
current_volume = original_liquid_volume
try:
for repeat_idx in range(repeats):
cycle_num = repeat_idx + 1
debug_print(f"🔄 第{cycle_num}轮: 开始分离循环 {cycle_num}/{repeats}")
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 开始", "🔄"))
# 步骤3.1: 添加溶剂(如果需要)
if solvent_vessel and final_volume > 0:
debug_print(f"🔄 第{cycle_num}轮 步骤1: 添加溶剂 {solvent} ({final_volume}mL)")
action_sequence.append(create_action_log(f"向分离容器添加 {final_volume}mL {solvent}", "💧"))
try:
# 使用pump protocol添加溶剂
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent_vessel,
to_vessel=final_vessel_id, # 🔧 使用 final_vessel_id
volume=final_volume,
amount="",
time=0.0,
viscous=False,
rinsing_solvent="",
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.5,
transfer_flowrate=0.5,
rate_spec="",
event="",
through="",
**kwargs
)
action_sequence.extend(pump_actions)
debug_print(f"✅ 溶剂添加完成,添加了 {len(pump_actions)} 个动作")
action_sequence.append(create_action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", ""))
# 🔧 新增:更新体积 - 添加溶剂后
current_volume += final_volume
update_vessel_volume(vessel, G, current_volume, f"添加{final_volume}mL {solvent}")
except Exception as e:
debug_print(f"❌ 溶剂添加失败: {str(e)}")
action_sequence.append(create_action_log(f"溶剂添加失败: {str(e)}", ""))
else:
debug_print(f"🔄 第{cycle_num}轮 步骤1: 无需添加溶剂")
action_sequence.append(create_action_log("无需添加溶剂", "⏭️"))
# 步骤3.2: 启动搅拌(如果有搅拌器)
if stirrer_device and stir_time > 0:
debug_print(f"🔄 第{cycle_num}轮 步骤2: 开始搅拌 ({stir_speed}rpm持续 {stir_time}s)")
action_sequence.append(create_action_log(f"开始搅拌: {stir_speed}rpm持续 {stir_time}s", "🌪️"))
action_sequence.append({
"device_id": stirrer_device,
"action_name": "start_stir",
"action_kwargs": {
"vessel": final_vessel_id, # 🔧 使用 final_vessel_id
"stir_speed": stir_speed,
"purpose": f"分离混合 - {purpose}"
}
})
# 搅拌等待
stir_minutes = stir_time / 60
action_sequence.append(create_action_log(f"搅拌中,持续 {stir_minutes:.1f} 分钟", "⏱️"))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": stir_time}
})
# 停止搅拌
action_sequence.append(create_action_log("停止搅拌器", "🛑"))
action_sequence.append({
"device_id": stirrer_device,
"action_name": "stop_stir",
"action_kwargs": {"vessel": final_vessel_id} # 🔧 使用 final_vessel_id
})
else:
debug_print(f"🔄 第{cycle_num}轮 步骤2: 无需搅拌")
action_sequence.append(create_action_log("无需搅拌", "⏭️"))
# 步骤3.3: 静置分层
if settling_time > 0:
debug_print(f"🔄 第{cycle_num}轮 步骤3: 静置分层 ({settling_time}s)")
settling_minutes = settling_time / 60
action_sequence.append(create_action_log(f"静置分层 ({settling_minutes:.1f} 分钟)", "⚖️"))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": settling_time}
})
else:
debug_print(f"🔄 第{cycle_num}轮 步骤3: 未指定静置时间")
action_sequence.append(create_action_log("未指定静置时间", "⏭️"))
# 步骤3.4: 执行分离操作
if separator_device:
debug_print(f"🔄 第{cycle_num}轮 步骤4: 执行分离操作")
action_sequence.append(create_action_log(f"执行分离: 收集{product_phase}", "🧪"))
# 调用分离器设备的separate方法
separate_action = {
"device_id": separator_device,
"action_name": "separate",
"action_kwargs": {
"purpose": purpose,
"product_phase": product_phase,
"from_vessel": extract_vessel_id(from_vessel) or final_vessel_id, # 🔧 使用vessel_id
"separation_vessel": final_vessel_id, # 🔧 使用 final_vessel_id
"to_vessel": final_to_vessel_id or final_vessel_id, # 🔧 使用vessel_id
"waste_phase_to_vessel": final_waste_vessel_id or final_vessel_id, # 🔧 使用vessel_id
"solvent": solvent,
"solvent_volume": final_volume,
"through": through,
"repeats": 1, # 每次调用只做一次分离
"stir_time": 0, # 已经在上面完成
"stir_speed": stir_speed,
"settling_time": 0 # 已经在上面完成
}
}
action_sequence.append(separate_action)
debug_print(f"✅ 分离操作已添加")
action_sequence.append(create_action_log("分离操作完成", ""))
# 🔧 新增:分离后体积估算(分离通常不改变总体积,但会重新分配)
# 假设分离后保持体积(实际情况可能有少量损失)
separated_volume = current_volume * 0.95 # 假设5%损失
update_vessel_volume(vessel, G, separated_volume, f"分离操作后(第{cycle_num}轮)")
current_volume = separated_volume
# 收集结果
if final_to_vessel_id:
action_sequence.append(create_action_log(f"产物 ({product_phase}相) 收集到: {final_to_vessel_id}", "📦"))
if final_waste_vessel_id:
action_sequence.append(create_action_log(f"废相收集到: {final_waste_vessel_id}", "🗑️"))
else:
debug_print(f"🔄 第{cycle_num}轮 步骤4: 无分离器设备,跳过分离")
action_sequence.append(create_action_log("无分离器设备可用", ""))
# 添加等待时间模拟分离
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10.0}
})
# 循环间等待(除了最后一次)
if repeat_idx < repeats - 1:
debug_print(f"🔄 第{cycle_num}轮: 等待下一次循环...")
action_sequence.append(create_action_log("等待下一次循环...", ""))
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
else:
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 完成", "🌟"))
except Exception as e:
debug_print(f"❌ 分离工作流程执行失败: {str(e)}")
action_sequence.append(create_action_log(f"分离工作流程失败: {str(e)}", ""))
# 添加错误日志
action_sequence.append({
"device_id": "system",
"action_name": "log_message",
"action_kwargs": {
"message": f"分离操作失败: {str(e)}"
}
)
# for i in range(2):
# pump_action_sequence.append(
# {
# "device_id": "",
# "action_name": "CleanProtocol",
# "action_kwargs": {
# "vessel": from_vessel,
# "solvent": "H2O", # Solvent to clean vessel with.
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
# "repeats": 1
# }
# }
# )
# pump_action_sequence.append(
# {
# "device_id": "",
# "action_name": "CleanProtocol",
# "action_kwargs": {
# "vessel": from_vessel,
# "solvent": "CH2Cl2", # Solvent to clean vessel with.
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
# "repeats": 1
# }
# }
# )
})
# 生成泵操作的动作序列
for i in range(repeats):
# 找到当次萃取所用溶剂
solvent_thistime = solvents[i]
solvent_vessel = f"flask_{solvent_thistime}"
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": solvent_vessel,
"to_vessel": separation_vessel,
"volume": solvent_volume,
"time": solvent_volume / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
pump_action_sequence.extend([
# 搅拌、静置
{
"device_id": separator_controller,
"action_name": "stir",
"action_kwargs": {
"stir_time": stir_time,
"stir_speed": stir_speed,
"settling_time": settling_time
}
},
# 分液(判断电导突跃)
{
"device_id": separator_controller,
"action_name": "valve_open",
"action_kwargs": {
"command": "delta > 0.05"
}
}
])
if product_phase == "bottom":
# 产物转移到目标瓶
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": separation_vessel_bottom,
"to_vessel": to_vessel,
"volume": 250.0,
"time": 250.0 / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
# 放出上面那一相60秒后关阀门
pump_action_sequence.append(
{
"device_id": separator_controller,
"action_name": "valve_open",
"action_kwargs": {
"command": "time > 60"
}
}
)
# 弃去上面那一相进废液
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": separation_vessel_bottom,
"to_vessel": waste_vessel,
"volume": 250.0,
"time": 250.0 / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
elif product_phase == "top":
# 弃去下面那一相进废液
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": separation_vessel_bottom,
"to_vessel": waste_vessel,
"volume": 250.0,
"time": 250.0 / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
# 放出上面那一相
pump_action_sequence.append(
{
"device_id": separator_controller,
"action_name": "valve_open",
"action_kwargs": {
"command": "time > 60"
}
}
)
# 产物转移到目标瓶
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": separation_vessel_bottom,
"to_vessel": to_vessel,
"volume": 250.0,
"time": 250.0 / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
elif product_phase == "organic":
pass
# 如果不是最后一次,从中转瓶转移回分液漏斗
if i < repeats - 1:
pump_action_sequence.append(
{
"device_id": "",
"action_name": "PumpTransferProtocol",
"action_kwargs": {
"from_vessel": to_vessel,
"to_vessel": separation_vessel,
"volume": 250.0,
"time": 250.0 / flowrate,
# "transfer_flowrate": transfer_flowrate,
}
}
)
return pump_action_sequence
# 🔧 新增:分离完成后的最终状态报告
final_liquid_volume = get_vessel_liquid_volume(vessel)
# === 最终结果 ===
total_time = (stir_time + settling_time + 15) * repeats # 估算总时间
debug_print("🌀" * 20)
debug_print(f"🎉 分离协议生成完成")
debug_print(f"📊 协议统计:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f} 分钟)")
debug_print(f" 🥼 分离容器: {final_vessel_id}")
debug_print(f" 🎯 分离目的: {purpose}")
debug_print(f" 📊 产物相: {product_phase}")
debug_print(f" 🔄 重复次数: {repeats}")
debug_print(f"💧 体积变化统计:")
debug_print(f" - 分离前体积: {original_liquid_volume:.2f}mL")
debug_print(f" - 分离后体积: {final_liquid_volume:.2f}mL")
if solvent:
debug_print(f" 💧 溶剂: {solvent} ({final_volume}mL × {repeats}轮 = {final_volume * repeats:.2f}mL)")
if final_to_vessel_id:
debug_print(f" 🎯 产物容器: {final_to_vessel_id}")
if final_waste_vessel_id:
debug_print(f" 🗑️ 废液容器: {final_waste_vessel_id}")
debug_print("🌀" * 20)
# 添加完成日志
summary_msg = f"分离协议完成: {final_vessel_id} ({purpose}{repeats} 次循环)"
if solvent:
summary_msg += f",使用 {final_volume * repeats:.2f}mL {solvent}"
action_sequence.append(create_action_log(summary_msg, "🎉"))
return action_sequence

View File

@@ -1,166 +1,545 @@
from typing import List, Dict, Any
from typing import List, Dict, Any, Union
import networkx as nx
import logging
import re
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"🌪️ [STIR] {message}", flush=True)
logger.info(f"[STIR] {message}")
def parse_time_input(time_input: Union[str, float, int], default_unit: str = "s") -> float:
"""
统一的时间解析函数(精简版)
Args:
time_input: 时间输入(如 "30 min", "1 h", "300", "?", 60.0
default_unit: 默认单位(默认为秒)
Returns:
float: 时间(秒)
"""
if not time_input:
return 100.0 # 默认100秒
# 🔢 处理数值输入
if isinstance(time_input, (int, float)):
result = float(time_input)
debug_print(f"⏰ 数值时间: {time_input}{result}s")
return result
# 📝 处理字符串输入
time_str = str(time_input).lower().strip()
debug_print(f"🔍 解析时间: '{time_str}'")
# ❓ 特殊值处理
special_times = {
'?': 300.0, 'unknown': 300.0, 'tbd': 300.0,
'briefly': 30.0, 'quickly': 60.0, 'slowly': 600.0,
'several minutes': 300.0, 'few minutes': 180.0, 'overnight': 3600.0
}
if time_str in special_times:
result = special_times[time_str]
debug_print(f"🎯 特殊时间: '{time_str}'{result}s ({result/60:.1f}分钟)")
return result
# 🔢 纯数字处理
try:
result = float(time_str)
debug_print(f"⏰ 纯数字: {time_str}{result}s")
return result
except ValueError:
pass
# 📐 正则表达式解析
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
match = re.match(pattern, time_str)
if not match:
debug_print(f"⚠️ 无法解析时间: '{time_str}',使用默认值: 100s")
return 100.0
value = float(match.group(1))
unit = match.group(2) or default_unit
# 📏 单位转换
unit_multipliers = {
's': 1.0, 'sec': 1.0, 'second': 1.0, 'seconds': 1.0,
'm': 60.0, 'min': 60.0, 'mins': 60.0, 'minute': 60.0, 'minutes': 60.0,
'h': 3600.0, 'hr': 3600.0, 'hrs': 3600.0, 'hour': 3600.0, 'hours': 3600.0,
'd': 86400.0, 'day': 86400.0, 'days': 86400.0
}
multiplier = unit_multipliers.get(unit, 1.0)
result = value * multiplier
debug_print(f"✅ 时间解析: '{time_str}'{value} {unit}{result}s ({result/60:.1f}分钟)")
return result
def find_connected_stirrer(G: nx.DiGraph, vessel: str = None) -> str:
"""
查找与指定容器相连的搅拌设备,或查找可用的搅拌设备
"""
# 查找所有搅拌设备节点
stirrer_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
"""查找与指定容器相连的搅拌设备"""
debug_print(f"🔍 查找搅拌设备,目标容器: {vessel} 🥽")
if vessel:
# 检查哪个搅拌设备与目标容器相连(机械连接)
# 🔧 查找所有搅拌设备
stirrer_nodes = []
for node in G.nodes():
node_data = G.nodes[node]
node_class = node_data.get('class', '') or ''
if 'stirrer' in node_class.lower() or 'virtual_stirrer' in node_class:
stirrer_nodes.append(node)
debug_print(f"🎉 找到搅拌设备: {node} 🌪️")
# 🔗 检查连接
if vessel and stirrer_nodes:
for stirrer in stirrer_nodes:
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
debug_print(f"✅ 搅拌设备 '{stirrer}' 与容器 '{vessel}' 相连 🔗")
return stirrer
# 如果没有指定容器或没有直接连接,返回第一个可用的搅拌设备
# 🎯 使用第一个可用设备
if stirrer_nodes:
return stirrer_nodes[0]
selected = stirrer_nodes[0]
debug_print(f"🔧 使用第一个搅拌设备: {selected} 🌪️")
return selected
raise ValueError("系统中未找到可用的搅拌设备")
# 🆘 默认设备
debug_print("⚠️ 未找到搅拌设备,使用默认设备 🌪️")
return "stirrer_1"
def validate_and_fix_params(stir_time: float, stir_speed: float, settling_time: float) -> tuple:
"""验证和修正参数"""
# ⏰ 搅拌时间验证
if stir_time < 0:
debug_print(f"⚠️ 搅拌时间 {stir_time}s 无效,修正为 100s 🕐")
stir_time = 100.0
elif stir_time > 100: # 限制为100s
debug_print(f"⚠️ 搅拌时间 {stir_time}s 过长,仿真运行时,修正为 100s 🕐")
stir_time = 100.0
else:
debug_print(f"✅ 搅拌时间 {stir_time}s ({stir_time/60:.1f}分钟) 有效 ⏰")
# 🌪️ 搅拌速度验证
if stir_speed < 10.0 or stir_speed > 1500.0:
debug_print(f"⚠️ 搅拌速度 {stir_speed} RPM 超出范围,修正为 300 RPM 🌪️")
stir_speed = 300.0
else:
debug_print(f"✅ 搅拌速度 {stir_speed} RPM 在正常范围内 🌪️")
# ⏱️ 沉降时间验证
if settling_time < 0 or settling_time > 600: # 限制为10分钟
debug_print(f"⚠️ 沉降时间 {settling_time}s 超出范围,修正为 60s ⏱️")
settling_time = 60.0
else:
debug_print(f"✅ 沉降时间 {settling_time}s 在正常范围内 ⏱️")
return stir_time, stir_speed, settling_time
def extract_vessel_id(vessel: Union[str, dict]) -> str:
"""
从vessel参数中提取vessel_id
Args:
vessel: vessel字典或vessel_id字符串
Returns:
str: vessel_id
"""
if isinstance(vessel, dict):
vessel_id = list(vessel.values())[0].get("id", "")
debug_print(f"🔧 从vessel字典提取ID: {vessel_id}")
return vessel_id
elif isinstance(vessel, str):
debug_print(f"🔧 vessel参数为字符串: {vessel}")
return vessel
else:
debug_print(f"⚠️ 无效的vessel参数类型: {type(vessel)}")
return ""
def get_vessel_display_info(vessel: Union[str, dict]) -> str:
"""
获取容器的显示信息(用于日志)
Args:
vessel: vessel字典或vessel_id字符串
Returns:
str: 显示信息
"""
if isinstance(vessel, dict):
vessel_id = vessel.get("id", "unknown")
vessel_name = vessel.get("name", "")
if vessel_name:
return f"{vessel_id} ({vessel_name})"
else:
return vessel_id
else:
return str(vessel)
def generate_stir_protocol(
G: nx.DiGraph,
stir_time: float,
stir_speed: float,
settling_time: float
vessel: Union[str, dict], # 支持vessel字典或字符串
time: Union[str, float, int] = "300",
stir_time: Union[str, float, int] = "0",
time_spec: str = "",
event: str = "",
stir_speed: float = 300.0,
settling_time: Union[str, float] = "60",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成搅拌操作的协议序列 - 定时搅拌 + 沉降
"""
action_sequence = []
"""生成搅拌操作的协议序列 - 修复vessel参数传递"""
print(f"STIR: 开始生成搅拌协议")
print(f" - 搅拌时间: {stir_time}")
print(f" - 搅拌速度: {stir_speed} RPM")
print(f" - 沉降时间: {settling_time}")
# 🔧 核心修改正确处理vessel参数
vessel_id = extract_vessel_id(vessel)
vessel_display = get_vessel_display_info(vessel)
# 查找搅拌设备
# 🔧 关键修复确保vessel_resource是完整的Resource对象
if isinstance(vessel, dict):
vessel_resource = vessel # 已经是完整的Resource字典
debug_print(f"✅ 使用传入的vessel Resource对象")
else:
# 如果只是字符串构建一个基本的Resource对象
vessel_resource = {
"id": vessel,
"name": "",
"category": "",
"children": [],
"config": "",
"data": "",
"parent": "",
"pose": {
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
},
"sample_id": "",
"type": ""
}
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
debug_print("🌪️" * 20)
debug_print("🚀 开始生成搅拌协议支持vessel字典")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel_display} (ID: {vessel_id})")
debug_print(f" ⏰ time: {time}")
debug_print(f" 🕐 stir_time: {stir_time}")
debug_print(f" 🎯 time_spec: {time_spec}")
debug_print(f" 🌪️ stir_speed: {stir_speed} RPM")
debug_print(f" ⏱️ settling_time: {settling_time}")
debug_print("🌪️" * 20)
# 📋 参数验证
debug_print("📍 步骤1: 参数验证... 🔧")
if not vessel_id: # 🔧 使用 vessel_id
debug_print("❌ vessel 参数不能为空! 😱")
raise ValueError("vessel 参数不能为空")
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中! 😞")
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
debug_print("✅ 基础参数验证通过 🎯")
# 🔄 参数解析
debug_print("📍 步骤2: 参数解析... ⚡")
# 确定实际时间优先级time_spec > stir_time > time
if time_spec:
parsed_time = parse_time_input(time_spec)
debug_print(f"🎯 使用time_spec: '{time_spec}'{parsed_time}s")
elif stir_time not in ["0", 0, 0.0]:
parsed_time = parse_time_input(stir_time)
debug_print(f"🎯 使用stir_time: {stir_time}{parsed_time}s")
else:
parsed_time = parse_time_input(time)
debug_print(f"🎯 使用time: {time}{parsed_time}s")
# 解析沉降时间
parsed_settling_time = parse_time_input(settling_time)
# 🕐 模拟运行时间优化
debug_print(" ⏱️ 检查模拟运行时间限制...")
original_stir_time = parsed_time
original_settling_time = parsed_settling_time
# 搅拌时间限制为60秒
stir_time_limit = 60.0
if parsed_time > stir_time_limit:
parsed_time = stir_time_limit
debug_print(f" 🎮 搅拌时间优化: {original_stir_time}s → {parsed_time}s ⚡")
# 沉降时间限制为30秒
settling_time_limit = 30.0
if parsed_settling_time > settling_time_limit:
parsed_settling_time = settling_time_limit
debug_print(f" 🎮 沉降时间优化: {original_settling_time}s → {parsed_settling_time}s ⚡")
# 参数修正
parsed_time, stir_speed, parsed_settling_time = validate_and_fix_params(
parsed_time, stir_speed, parsed_settling_time
)
debug_print(f"🎯 最终参数: time={parsed_time}s, speed={stir_speed}RPM, settling={parsed_settling_time}s")
# 🔍 查找设备
debug_print("📍 步骤3: 查找搅拌设备... 🔍")
try:
stirrer_id = find_connected_stirrer(G)
print(f"STIR: 找到搅拌设备: {stirrer_id}")
except ValueError as e:
stirrer_id = find_connected_stirrer(G, vessel_id) # 🔧 使用 vessel_id
debug_print(f"🎉 使用搅拌设备: {stirrer_id}")
except Exception as e:
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
raise ValueError(f"无法找到搅拌设备: {str(e)}")
# 执行搅拌操
# 🚀 生成动
debug_print("📍 步骤4: 生成搅拌动作... 🌪️")
action_sequence = []
stir_action = {
"device_id": stirrer_id,
"action_name": "stir",
"action_kwargs": {
"stir_time": stir_time,
"stir_speed": stir_speed,
"settling_time": settling_time
# 🔧 关键修复传递vessel_id字符串而不是完整的Resource对象
"vessel": vessel_id, # 传递字符串ID不是Resource对象
"time": str(time),
"event": event,
"time_spec": time_spec,
"stir_time": float(parsed_time),
"stir_speed": float(stir_speed),
"settling_time": float(parsed_settling_time)
}
}
action_sequence.append(stir_action)
debug_print("✅ 搅拌动作已添加 🌪️✨")
# 显示时间优化信息
if original_stir_time != parsed_time or original_settling_time != parsed_settling_time:
debug_print(f" 🎭 模拟优化说明:")
debug_print(f" 搅拌时间: {original_stir_time/60:.1f}分钟 → {parsed_time/60:.1f}分钟")
debug_print(f" 沉降时间: {original_settling_time/60:.1f}分钟 → {parsed_settling_time/60:.1f}分钟")
# 🎊 总结
debug_print("🎊" * 20)
debug_print(f"🎉 搅拌协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)}")
debug_print(f"🥽 搅拌容器: {vessel_display}")
debug_print(f"🌪️ 搅拌参数: {stir_speed} RPM, {parsed_time}s, 沉降 {parsed_settling_time}s")
debug_print(f"⏱️ 预计总时间: {(parsed_time + parsed_settling_time)/60:.1f} 分钟 ⌛")
debug_print("🎊" * 20)
print(f"STIR: 生成了 {len(action_sequence)} 个动作")
return action_sequence
def generate_start_stir_protocol(
G: nx.DiGraph,
vessel: str,
stir_speed: float,
purpose: str
vessel: Union[str, dict],
stir_speed: float = 300.0,
purpose: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成开始搅拌操作的协议序列 - 持续搅拌
"""
action_sequence = []
"""生成开始搅拌操作的协议序列 - 修复vessel参数传递"""
print(f"START_STIR: 开始生成启动搅拌协议")
print(f" - 容器: {vessel}")
print(f" - 搅拌速度: {stir_speed} RPM")
print(f" - 目的: {purpose}")
# 🔧 核心修改正确处理vessel参数
vessel_id = extract_vessel_id(vessel)
vessel_display = get_vessel_display_info(vessel)
# 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 🔧 关键修复确保vessel_resource是完整的Resource对象
if isinstance(vessel, dict):
vessel_resource = vessel # 已经是完整的Resource字典
debug_print(f"✅ 使用传入的vessel Resource对象")
else:
# 如果只是字符串构建一个基本的Resource对象
vessel_resource = {
"id": vessel,
"name": "",
"category": "",
"children": [],
"config": "",
"data": "",
"parent": "",
"pose": {
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
},
"sample_id": "",
"type": ""
}
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
# 查找搅拌设备
try:
stirrer_id = find_connected_stirrer(G, vessel)
print(f"START_STIR: 找到搅拌设备: {stirrer_id}")
except ValueError as e:
raise ValueError(f"无法找到搅拌设备: {str(e)}")
debug_print("🔄 开始生成启动搅拌协议修复vessel参数")
debug_print(f"🥽 vessel: {vessel_display} (ID: {vessel_id})")
debug_print(f"🌪️ speed: {stir_speed} RPM")
debug_print(f"🎯 purpose: {purpose}")
# 执行开始搅拌操作
start_stir_action = {
# 基础验证
if not vessel_id or vessel_id not in G.nodes():
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 参数修正
if stir_speed < 10.0 or stir_speed > 1500.0:
debug_print(f"⚠️ 搅拌速度修正: {stir_speed} → 300 RPM 🌪️")
stir_speed = 300.0
# 查找设备
stirrer_id = find_connected_stirrer(G, vessel_id)
# 🔧 关键修复传递vessel_id字符串
action_sequence = [{
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
# 🔧 关键修复传递vessel_id字符串而不是完整的Resource对象
"vessel": vessel_id, # 传递字符串ID不是Resource对象
"stir_speed": stir_speed,
"purpose": purpose
"purpose": purpose or f"启动搅拌 {stir_speed} RPM"
}
}
}]
action_sequence.append(start_stir_action)
print(f"START_STIR: 生成了 {len(action_sequence)} 个动作")
debug_print(f"✅ 启动搅拌协议生成完成 🎯")
return action_sequence
def generate_stop_stir_protocol(
G: nx.DiGraph,
vessel: str
vessel: Union[str, dict],
**kwargs
) -> List[Dict[str, Any]]:
"""
生成停止搅拌操作的协议序列
"""
action_sequence = []
"""生成停止搅拌操作的协议序列 - 修复vessel参数传递"""
print(f"STOP_STIR: 开始生成停止搅拌协议")
print(f" - 容器: {vessel}")
# 🔧 核心修改正确处理vessel参数
vessel_id = extract_vessel_id(vessel)
vessel_display = get_vessel_display_info(vessel)
# 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 🔧 关键修复确保vessel_resource是完整的Resource对象
if isinstance(vessel, dict):
vessel_resource = vessel # 已经是完整的Resource字典
debug_print(f"✅ 使用传入的vessel Resource对象")
else:
# 如果只是字符串构建一个基本的Resource对象
vessel_resource = {
"id": vessel,
"name": "",
"category": "",
"children": [],
"config": "",
"data": "",
"parent": "",
"pose": {
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
},
"sample_id": "",
"type": ""
}
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
# 查找搅拌设备
try:
stirrer_id = find_connected_stirrer(G, vessel)
print(f"STOP_STIR: 找到搅拌设备: {stirrer_id}")
except ValueError as e:
raise ValueError(f"无法找到搅拌设备: {str(e)}")
debug_print("🛑 开始生成停止搅拌协议修复vessel参数")
debug_print(f"🥽 vessel: {vessel_display} (ID: {vessel_id})")
# 执行停止搅拌操作
stop_stir_action = {
# 基础验证
if not vessel_id or vessel_id not in G.nodes():
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 查找设备
stirrer_id = find_connected_stirrer(G, vessel_id)
# 🔧 关键修复传递vessel_id字符串
action_sequence = [{
"device_id": stirrer_id,
"action_name": "stop_stir",
"action_kwargs": {
"vessel": vessel
# 🔧 关键修复传递vessel_id字符串而不是完整的Resource对象
"vessel": vessel_id # 传递字符串ID不是Resource对象
}
}
}]
action_sequence.append(stop_stir_action)
print(f"STOP_STIR: 生成了 {len(action_sequence)} 个动作")
debug_print(f"✅ 停止搅拌协议生成完成 🎯")
return action_sequence
# 🔧 新增:便捷函数
def stir_briefly(G: nx.DiGraph, vessel: Union[str, dict],
speed: float = 300.0) -> List[Dict[str, Any]]:
"""短时间搅拌30秒"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"⚡ 短时间搅拌: {vessel_display} @ {speed}RPM (30s)")
return generate_stir_protocol(G, vessel, time="30", stir_speed=speed)
# 便捷函数
def generate_fast_stir_protocol(
G: nx.DiGraph,
time: float = 300.0,
speed: float = 800.0,
settling: float = 60.0
) -> List[Dict[str, Any]]:
"""快速搅拌的便捷函数"""
return generate_stir_protocol(G, time, speed, settling)
def stir_slowly(G: nx.DiGraph, vessel: Union[str, dict],
time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
"""慢速搅拌"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🐌 慢速搅拌: {vessel_display} @ 150RPM")
return generate_stir_protocol(G, vessel, time=time, stir_speed=150.0)
def stir_vigorously(G: nx.DiGraph, vessel: Union[str, dict],
time: Union[str, float] = "5 min") -> List[Dict[str, Any]]:
"""剧烈搅拌"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"💨 剧烈搅拌: {vessel_display} @ 800RPM")
return generate_stir_protocol(G, vessel, time=time, stir_speed=800.0)
def generate_gentle_stir_protocol(
G: nx.DiGraph,
time: float = 600.0,
speed: float = 200.0,
settling: float = 120.0
) -> List[Dict[str, Any]]:
"""温和搅拌的便捷函数"""
return generate_stir_protocol(G, time, speed, settling)
def stir_for_reaction(G: nx.DiGraph, vessel: Union[str, dict],
time: Union[str, float] = "1 h") -> List[Dict[str, Any]]:
"""反应搅拌(标准速度,长时间)"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🧪 反应搅拌: {vessel_display} @ 400RPM")
return generate_stir_protocol(G, vessel, time=time, stir_speed=400.0)
def stir_for_dissolution(G: nx.DiGraph, vessel: Union[str, dict],
time: Union[str, float] = "15 min") -> List[Dict[str, Any]]:
"""溶解搅拌(中等速度)"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"💧 溶解搅拌: {vessel_display} @ 500RPM")
return generate_stir_protocol(G, vessel, time=time, stir_speed=500.0)
def stir_gently(G: nx.DiGraph, vessel: Union[str, dict],
time: Union[str, float] = "30 min") -> List[Dict[str, Any]]:
"""温和搅拌"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🍃 温和搅拌: {vessel_display} @ 200RPM")
return generate_stir_protocol(G, vessel, time=time, stir_speed=200.0)
def stir_overnight(G: nx.DiGraph, vessel: Union[str, dict]) -> List[Dict[str, Any]]:
"""过夜搅拌模拟时缩短为2小时"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🌙 过夜搅拌模拟2小时: {vessel_display} @ 300RPM")
return generate_stir_protocol(G, vessel, time="2 h", stir_speed=300.0)
def start_continuous_stirring(G: nx.DiGraph, vessel: Union[str, dict],
speed: float = 300.0, purpose: str = "continuous stirring") -> List[Dict[str, Any]]:
"""开始连续搅拌"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🔄 开始连续搅拌: {vessel_display} @ {speed}RPM")
return generate_start_stir_protocol(G, vessel, stir_speed=speed, purpose=purpose)
def stop_all_stirring(G: nx.DiGraph, vessel: Union[str, dict]) -> List[Dict[str, Any]]:
"""停止所有搅拌"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🛑 停止搅拌: {vessel_display}")
return generate_stop_stir_protocol(G, vessel)
# 测试函数
def test_stir_protocol():
"""测试搅拌协议"""
debug_print("🧪 === STIR PROTOCOL 测试 === ✨")
# 测试vessel参数处理
debug_print("🔧 测试vessel参数处理...")
# 测试字典格式
vessel_dict = {"id": "flask_1", "name": "反应瓶1"}
vessel_id = extract_vessel_id(vessel_dict)
vessel_display = get_vessel_display_info(vessel_dict)
debug_print(f" 字典格式: {vessel_dict} → ID: {vessel_id}, 显示: {vessel_display}")
# 测试字符串格式
vessel_str = "flask_2"
vessel_id = extract_vessel_id(vessel_str)
vessel_display = get_vessel_display_info(vessel_str)
debug_print(f" 字符串格式: {vessel_str} → ID: {vessel_id}, 显示: {vessel_display}")
debug_print("✅ 测试完成 🎉")
if __name__ == "__main__":
test_stir_protocol()

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@@ -0,0 +1,206 @@
"""
统一的单位解析工具模块
支持时间、体积、质量等各种单位的解析
"""
import re
import logging
from typing import Union
logger = logging.getLogger(__name__)
def debug_print(message, prefix="[UNIT_PARSER]"):
"""调试输出"""
print(f"{prefix} {message}", flush=True)
logger.info(f"{prefix} {message}")
def parse_time_with_units(time_input: Union[str, float, int], default_unit: str = "s") -> float:
"""
解析带单位的时间输入
Args:
time_input: 时间输入(如 "30 min", "1 h", "300", "?", 60.0
default_unit: 默认单位(默认为秒)
Returns:
float: 时间(秒)
"""
if not time_input:
return 0.0
# 处理数值输入
if isinstance(time_input, (int, float)):
result = float(time_input)
debug_print(f"数值时间输入: {time_input}{result}s默认单位")
return result
# 处理字符串输入
time_str = str(time_input).lower().strip()
debug_print(f"解析时间字符串: '{time_str}'")
# 处理特殊值
if time_str in ['?', 'unknown', 'tbd', 'to be determined']:
default_time = 300.0 # 5分钟默认值
debug_print(f"检测到未知时间,使用默认值: {default_time}s")
return default_time
# 如果是纯数字,使用默认单位
try:
value = float(time_str)
if default_unit == "s":
result = value
elif default_unit in ["min", "minute"]:
result = value * 60.0
elif default_unit in ["h", "hour"]:
result = value * 3600.0
else:
result = value # 默认秒
debug_print(f"纯数字输入: {time_str}{result}s单位: {default_unit}")
return result
except ValueError:
pass
# 使用正则表达式匹配数字和单位
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
match = re.match(pattern, time_str)
if not match:
debug_print(f"⚠️ 无法解析时间: '{time_str}',使用默认值: 60s")
return 60.0
value = float(match.group(1))
unit = match.group(2) or default_unit
# 单位转换映射
unit_multipliers = {
# 秒
's': 1.0,
'sec': 1.0,
'second': 1.0,
'seconds': 1.0,
# 分钟
'm': 60.0,
'min': 60.0,
'mins': 60.0,
'minute': 60.0,
'minutes': 60.0,
# 小时
'h': 3600.0,
'hr': 3600.0,
'hrs': 3600.0,
'hour': 3600.0,
'hours': 3600.0,
# 天
'd': 86400.0,
'day': 86400.0,
'days': 86400.0,
}
multiplier = unit_multipliers.get(unit, 1.0)
result = value * multiplier
debug_print(f"时间解析: '{time_str}'{value} {unit}{result}s")
return result
def parse_volume_with_units(volume_input: Union[str, float, int], default_unit: str = "mL") -> float:
"""
解析带单位的体积输入
Args:
volume_input: 体积输入(如 "100 mL", "2.5 L", "500", "?", 100.0
default_unit: 默认单位(默认为毫升)
Returns:
float: 体积(毫升)
"""
if not volume_input:
return 0.0
# 处理数值输入
if isinstance(volume_input, (int, float)):
result = float(volume_input)
debug_print(f"数值体积输入: {volume_input}{result}mL默认单位")
return result
# 处理字符串输入
volume_str = str(volume_input).lower().strip()
debug_print(f"解析体积字符串: '{volume_str}'")
# 处理特殊值
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
default_volume = 50.0 # 50mL默认值
debug_print(f"检测到未知体积,使用默认值: {default_volume}mL")
return default_volume
# 如果是纯数字,使用默认单位
try:
value = float(volume_str)
if default_unit.lower() in ["ml", "milliliter"]:
result = value
elif default_unit.lower() in ["l", "liter"]:
result = value * 1000.0
elif default_unit.lower() in ["μl", "ul", "microliter"]:
result = value / 1000.0
else:
result = value # 默认mL
debug_print(f"纯数字输入: {volume_str}{result}mL单位: {default_unit}")
return result
except ValueError:
pass
# 移除空格并提取数字和单位
volume_clean = re.sub(r'\s+', '', volume_str)
# 匹配数字和单位的正则表达式
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
if not match:
debug_print(f"⚠️ 无法解析体积: '{volume_str}',使用默认值: 50mL")
return 50.0
value = float(match.group(1))
unit = match.group(2) or default_unit.lower()
# 转换为毫升
if unit in ['l', 'liter']:
volume = value * 1000.0 # L -> mL
elif unit in ['μl', 'ul', 'microliter']:
volume = value / 1000.0 # μL -> mL
else: # ml, milliliter 或默认
volume = value # 已经是mL
debug_print(f"体积解析: '{volume_str}'{value} {unit}{volume}mL")
return volume
# 测试函数
def test_unit_parser():
"""测试单位解析功能"""
print("=== 单位解析器测试 ===")
# 测试时间解析
time_tests = [
"30 min", "1 h", "300", "5.5 h", "?", 60.0, "2 hours", "30 s"
]
print("\n时间解析测试:")
for time_input in time_tests:
result = parse_time_with_units(time_input)
print(f" {time_input}{result}s ({result/60:.1f}min)")
# 测试体积解析
volume_tests = [
"100 mL", "2.5 L", "500", "?", 100.0, "500 μL", "1 liter"
]
print("\n体积解析测试:")
for volume_input in volume_tests:
result = parse_volume_with_units(volume_input)
print(f" {volume_input}{result}mL")
print("\n✅ 测试完成")
if __name__ == "__main__":
test_unit_parser()

View File

@@ -1,216 +1,652 @@
from typing import List, Dict, Any
from typing import List, Dict, Any, Union
import networkx as nx
import logging
import re
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"🧼 [WASH_SOLID] {message}", flush=True)
logger.info(f"[WASH_SOLID] {message}")
def parse_time_input(time_input: Union[str, float, int]) -> float:
"""统一时间解析函数(精简版)"""
if not time_input:
return 0.0
# 🔢 处理数值输入
if isinstance(time_input, (int, float)):
result = float(time_input)
debug_print(f"⏰ 数值时间: {time_input}{result}s")
return result
# 📝 处理字符串输入
time_str = str(time_input).lower().strip()
# ❓ 特殊值快速处理
special_times = {
'?': 60.0, 'unknown': 60.0, 'briefly': 30.0,
'quickly': 45.0, 'slowly': 120.0
}
if time_str in special_times:
result = special_times[time_str]
debug_print(f"🎯 特殊时间: '{time_str}'{result}s")
return result
# 🔢 数字提取(简化正则)
try:
# 提取数字
numbers = re.findall(r'\d+\.?\d*', time_str)
if numbers:
value = float(numbers[0])
# 简化单位判断
if any(unit in time_str for unit in ['min', 'm']):
result = value * 60.0
elif any(unit in time_str for unit in ['h', 'hour']):
result = value * 3600.0
else:
result = value # 默认秒
debug_print(f"✅ 时间解析: '{time_str}'{result}s")
return result
except:
pass
debug_print(f"⚠️ 时间解析失败: '{time_str}'使用默认60s")
return 60.0
def parse_volume_input(volume: Union[float, str], volume_spec: str = "", mass: str = "") -> float:
"""统一体积解析函数(精简版)"""
debug_print(f"💧 解析体积: volume={volume}, spec='{volume_spec}', mass='{mass}'")
# 🎯 优先级1volume_spec快速映射
if volume_spec:
spec_map = {
'small': 20.0, 'medium': 50.0, 'large': 100.0,
'minimal': 10.0, 'normal': 50.0, 'generous': 150.0
}
for key, val in spec_map.items():
if key in volume_spec.lower():
debug_print(f"🎯 规格匹配: '{volume_spec}'{val}mL")
return val
# 🧮 优先级2mass转体积简化1g=1mL
if mass:
try:
numbers = re.findall(r'\d+\.?\d*', mass)
if numbers:
value = float(numbers[0])
if 'mg' in mass.lower():
result = value / 1000.0
elif 'kg' in mass.lower():
result = value * 1000.0
else:
result = value # 默认g
debug_print(f"⚖️ 质量转换: {mass}{result}mL")
return result
except:
pass
# 📦 优先级3volume
if volume:
if isinstance(volume, (int, float)):
result = float(volume)
debug_print(f"💧 数值体积: {volume}{result}mL")
return result
elif isinstance(volume, str):
try:
# 提取数字
numbers = re.findall(r'\d+\.?\d*', volume)
if numbers:
value = float(numbers[0])
# 简化单位判断
if 'l' in volume.lower() and 'ml' not in volume.lower():
result = value * 1000.0 # L转mL
else:
result = value # 默认mL
debug_print(f"💧 字符串体积: '{volume}'{result}mL")
return result
except:
pass
# 默认值
debug_print(f"⚠️ 体积解析失败使用默认50mL")
return 50.0
def find_solvent_source(G: nx.DiGraph, solvent: str) -> str:
"""查找溶剂源(精简版)"""
debug_print(f"🔍 查找溶剂源: {solvent}")
# 简化搜索列表
search_patterns = [
f"flask_{solvent}", f"bottle_{solvent}", f"reagent_{solvent}",
"liquid_reagent_bottle_1", "flask_1", "solvent_bottle"
]
for pattern in search_patterns:
if pattern in G.nodes():
debug_print(f"🎉 找到溶剂源: {pattern}")
return pattern
debug_print(f"⚠️ 使用默认溶剂源: flask_{solvent}")
return f"flask_{solvent}"
def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str:
"""查找滤液容器(精简版)"""
debug_print(f"🔍 查找滤液容器: {filtrate_vessel}")
# 如果指定了且存在,直接使用
if filtrate_vessel and filtrate_vessel in G.nodes():
debug_print(f"✅ 使用指定容器: {filtrate_vessel}")
return filtrate_vessel
# 简化搜索列表
default_vessels = ["waste_workup", "filtrate_vessel", "flask_1", "collection_bottle_1"]
for vessel in default_vessels:
if vessel in G.nodes():
debug_print(f"🎉 找到滤液容器: {vessel}")
return vessel
debug_print(f"⚠️ 使用默认滤液容器: waste_workup")
return "waste_workup"
def extract_vessel_id(vessel: Union[str, dict]) -> str:
"""
从vessel参数中提取vessel_id
Args:
vessel: vessel字典或vessel_id字符串
Returns:
str: vessel_id
"""
if isinstance(vessel, dict):
vessel_id = list(vessel.values())[0].get("id", "")
debug_print(f"🔧 从vessel字典提取ID: {vessel_id}")
return vessel_id
elif isinstance(vessel, str):
debug_print(f"🔧 vessel参数为字符串: {vessel}")
return vessel
else:
debug_print(f"⚠️ 无效的vessel参数类型: {type(vessel)}")
return ""
def get_vessel_display_info(vessel: Union[str, dict]) -> str:
"""
获取容器的显示信息(用于日志)
Args:
vessel: vessel字典或vessel_id字符串
Returns:
str: 显示信息
"""
if isinstance(vessel, dict):
vessel_id = vessel.get("id", "unknown")
vessel_name = vessel.get("name", "")
if vessel_name:
return f"{vessel_id} ({vessel_name})"
else:
return vessel_id
else:
return str(vessel)
def get_vessel_liquid_volume(vessel: dict) -> float:
"""
获取容器中的液体体积 - 支持vessel字典
Args:
vessel: 容器字典
Returns:
float: 液体体积mL
"""
if not vessel or "data" not in vessel:
debug_print(f"⚠️ 容器数据为空,返回 0.0mL")
return 0.0
vessel_data = vessel["data"]
vessel_id = vessel.get("id", "unknown")
debug_print(f"🔍 读取容器 '{vessel_id}' 体积数据: {vessel_data}")
# 检查liquid_volume字段
if "liquid_volume" in vessel_data:
liquid_volume = vessel_data["liquid_volume"]
# 处理列表格式
if isinstance(liquid_volume, list):
if len(liquid_volume) > 0:
volume = liquid_volume[0]
if isinstance(volume, (int, float)):
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (列表格式)")
return float(volume)
# 处理直接数值格式
elif isinstance(liquid_volume, (int, float)):
debug_print(f"✅ 容器 '{vessel_id}' 体积: {liquid_volume}mL (数值格式)")
return float(liquid_volume)
# 检查其他可能的体积字段
volume_keys = ['current_volume', 'total_volume', 'volume']
for key in volume_keys:
if key in vessel_data:
try:
volume = float(vessel_data[key])
if volume > 0:
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (字段: {key})")
return volume
except (ValueError, TypeError):
continue
debug_print(f"⚠️ 无法获取容器 '{vessel_id}' 的体积,返回默认值 0.0mL")
return 0.0
def update_vessel_volume(vessel: dict, G: nx.DiGraph, new_volume: float, description: str = "") -> None:
"""
更新容器体积同时更新vessel字典和图节点
Args:
vessel: 容器字典
G: 网络图
new_volume: 新体积
description: 更新描述
"""
vessel_id = vessel.get("id", "unknown")
if description:
debug_print(f"🔧 更新容器体积 - {description}")
# 更新vessel字典中的体积
if "data" in vessel:
if "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = new_volume
else:
vessel["data"]["liquid_volume"] = [new_volume]
else:
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"] = {"liquid_volume": new_volume}
# 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
debug_print(f"📊 容器 '{vessel_id}' 体积已更新为: {new_volume:.2f}mL")
def generate_wash_solid_protocol(
G: nx.DiGraph,
vessel: str,
vessel: Union[str, dict], # 🔧 修改支持vessel字典
solvent: str,
volume: float,
filtrate_vessel: str = "",
volume: Union[float, str] = "50",
filtrate_vessel: Union[str, dict] = "", # 🔧 修改支持vessel字典
temp: float = 25.0,
stir: bool = False,
stir_speed: float = 0.0,
time: float = 0.0,
repeats: int = 1
time: Union[str, float] = "0",
repeats: int = 1,
volume_spec: str = "",
repeats_spec: str = "",
mass: str = "",
event: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成固体清洗协议序列
生成固体清洗协议 - 支持vessel字典和体积运算
Args:
G: 有向图,节点为设备和容器
vessel: 装有固体物质的容器名称
solvent: 用于清洗固体的溶剂名称
volume: 清洗溶剂体积
filtrate_vessel: 滤液收集到的容器名称,可选参数
temp: 清洗时的温度,可选参数
stir: 是否在清洗过程中搅拌,默认为 False
stir_speed: 搅拌速度,可选参数
time: 清洗的时间,可选参数
repeats: 清洗操作的重复次数,默认为 1
G: 有向图,节点为设备和容器,边为流体管道
vessel: 清洗容器字典从XDL传入或容器ID字符串
solvent: 清洗溶剂名称
volume: 溶剂体积(每次清洗)
filtrate_vessel: 滤液收集容器字典或容器ID字符串
temp: 清洗温度°C
stir: 是否搅拌
stir_speed: 搅拌速度RPM
time: 搅拌时间
repeats: 清洗重复次数
volume_spec: 体积规格small/medium/large
repeats_spec: 重复次数规格few/several/many
mass: 固体质量(用于计算溶剂用量)
event: 事件描述
**kwargs: 其他可选参数
Returns:
List[Dict[str, Any]]: 固体清洗操作的动作序列
Raises:
ValueError: 当找不到必要的设备时抛出异常
Examples:
wash_solid_protocol = generate_wash_solid_protocol(
G, "reactor", "ethanol", 100.0, "waste_flask", 60.0, True, 300.0, 600.0, 3
)
"""
# 🔧 核心修改从vessel参数中提取vessel_id
vessel_id = extract_vessel_id(vessel)
vessel_display = get_vessel_display_info(vessel)
# 🔧 处理filtrate_vessel参数
filtrate_vessel_id = extract_vessel_id(filtrate_vessel) if filtrate_vessel else ""
debug_print("🧼" * 20)
debug_print("🚀 开始生成固体清洗协议支持vessel字典和体积运算")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel_display} (ID: {vessel_id})")
debug_print(f" 🧪 solvent: {solvent}")
debug_print(f" 💧 volume: {volume}")
debug_print(f" 🗑️ filtrate_vessel: {filtrate_vessel_id}")
debug_print(f" ⏰ time: {time}")
debug_print(f" 🔄 repeats: {repeats}")
debug_print("🧼" * 20)
# 🔧 新增:记录清洗前的容器状态
debug_print("🔍 记录清洗前容器状态...")
if isinstance(vessel, dict):
original_volume = get_vessel_liquid_volume(vessel)
debug_print(f"📊 清洗前液体体积: {original_volume:.2f}mL")
else:
original_volume = 0.0
debug_print(f"📊 vessel为字符串格式无法获取体积信息")
# 📋 快速验证
if not vessel_id or vessel_id not in G.nodes(): # 🔧 使用 vessel_id
debug_print("❌ 容器验证失败! 😱")
raise ValueError("vessel 参数无效")
if not solvent:
debug_print("❌ 溶剂不能为空! 😱")
raise ValueError("solvent 参数不能为空")
debug_print("✅ 基础验证通过 🎯")
# 🔄 参数解析
debug_print("📍 步骤1: 参数解析... ⚡")
final_volume = parse_volume_input(volume, volume_spec, mass)
final_time = parse_time_input(time)
# 重复次数处理(简化)
if repeats_spec:
spec_map = {'few': 2, 'several': 3, 'many': 4, 'thorough': 5}
final_repeats = next((v for k, v in spec_map.items() if k in repeats_spec.lower()), repeats)
else:
final_repeats = max(1, min(repeats, 5)) # 限制1-5次
# 🕐 模拟时间优化
debug_print(" ⏱️ 模拟时间优化...")
original_time = final_time
if final_time > 60.0:
final_time = 60.0 # 限制最长60秒
debug_print(f" 🎮 时间优化: {original_time}s → {final_time}s ⚡")
# 参数修正
temp = max(25.0, min(temp, 80.0)) # 温度范围25-80°C
stir_speed = max(0.0, min(stir_speed, 300.0)) if stir else 0.0 # 速度范围0-300
debug_print(f"🎯 最终参数: 体积={final_volume}mL, 时间={final_time}s, 重复={final_repeats}")
# 🔍 查找设备
debug_print("📍 步骤2: 查找设备... 🔍")
try:
solvent_source = find_solvent_source(G, solvent)
actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel_id)
debug_print(f"🎉 设备配置完成 ✨")
debug_print(f" 🧪 溶剂源: {solvent_source}")
debug_print(f" 🗑️ 滤液容器: {actual_filtrate_vessel}")
except Exception as e:
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
raise ValueError(f"设备查找失败: {str(e)}")
# 🚀 生成动作序列
debug_print("📍 步骤3: 生成清洗动作... 🧼")
action_sequence = []
# 验证容器是否存在
if vessel not in G.nodes():
raise ValueError(f"固体容器 {vessel} 不存在于图中")
# 🔧 新增:体积变化跟踪变量
current_volume = original_volume
total_solvent_used = 0.0
if filtrate_vessel and filtrate_vessel not in G.nodes():
raise ValueError(f"滤液容器 {filtrate_vessel} 不存在于图中")
# 查找转移泵设备(用于添加溶剂和转移滤液)
pump_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_transfer_pump']
if not pump_nodes:
raise ValueError("没有找到可用的转移泵设备")
pump_id = pump_nodes[0]
# 查找加热设备(如果需要加热)
heatchill_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_heatchill']
heatchill_id = heatchill_nodes[0] if heatchill_nodes else None
# 查找搅拌设备(如果需要搅拌)
stirrer_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_stirrer']
stirrer_id = stirrer_nodes[0] if stirrer_nodes else None
# 查找过滤设备(用于分离固体和滤液)
filter_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_filter']
filter_id = filter_nodes[0] if filter_nodes else None
# 查找溶剂容器
solvent_vessel = f"flask_{solvent}"
if solvent_vessel not in G.nodes():
# 如果没有找到特定溶剂容器,查找可用的源容器
available_vessels = [node for node in G.nodes()
if node.startswith('flask_') and
G.nodes[node].get('type') == 'container']
if available_vessels:
solvent_vessel = available_vessels[0]
else:
raise ValueError(f"没有找到溶剂容器 {solvent}")
# 如果没有指定滤液容器,使用废液容器
if not filtrate_vessel:
waste_vessels = [node for node in G.nodes()
if 'waste' in node.lower() and
G.nodes[node].get('type') == 'container']
filtrate_vessel = waste_vessels[0] if waste_vessels else "waste_flask"
# 重复清洗操作
for repeat in range(repeats):
repeat_num = repeat + 1
for cycle in range(final_repeats):
debug_print(f" 🔄 第{cycle+1}/{final_repeats}次清洗...")
# 步骤1如果需要加热先设置温度
if temp > 25.0 and heatchill_id:
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill_start",
# 1. 转移溶剂
try:
from .pump_protocol import generate_pump_protocol_with_rinsing
debug_print(f" 💧 添加溶剂: {final_volume}mL {solvent}")
transfer_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent_source,
to_vessel=vessel_id, # 🔧 使用 vessel_id
volume=final_volume,
amount="",
time=0.0,
viscous=False,
rinsing_solvent="",
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=2.5,
transfer_flowrate=0.5
)
if transfer_actions:
action_sequence.extend(transfer_actions)
debug_print(f" ✅ 转移动作: {len(transfer_actions)}个 🚚")
# 🔧 新增:更新体积 - 添加溶剂后
current_volume += final_volume
total_solvent_used += final_volume
if isinstance(vessel, dict):
update_vessel_volume(vessel, G, current_volume,
f"{cycle+1}次清洗添加{final_volume}mL溶剂后")
except Exception as e:
debug_print(f" ❌ 转移失败: {str(e)} 😞")
# 2. 搅拌(如果需要)
if stir and final_time > 0:
debug_print(f" 🌪️ 搅拌: {final_time}s @ {stir_speed}RPM")
stir_action = {
"device_id": "stirrer_1",
"action_name": "stir",
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"purpose": f"固体清洗 - 第 {repeat_num}"
"vessel": vessel_id, # 🔧 使用 vessel_id
"time": str(time),
"stir_time": final_time,
"stir_speed": stir_speed,
"settling_time": 10.0 # 🕐 缩短沉降时间
}
})
# 步骤2添加清洗溶剂到固体容器
action_sequence.append({
"device_id": pump_id,
"action_name": "transfer",
"action_kwargs": {
"from_vessel": solvent_vessel,
"to_vessel": vessel,
"volume": volume,
"amount": f"清洗溶剂 {solvent} - 第 {repeat_num}",
"time": 0.0,
"viscous": False,
"rinsing_solvent": "",
"rinsing_volume": 0.0,
"rinsing_repeats": 0,
"solid": False
}
action_sequence.append(stir_action)
debug_print(f" ✅ 搅拌动作: {final_time}s, {stir_speed}RPM 🌪️")
# 3. 过滤
debug_print(f" 🌊 过滤到: {actual_filtrate_vessel}")
filter_action = {
"device_id": "filter_1",
"action_name": "filter",
"action_kwargs": {
"vessel": vessel_id, # 🔧 使用 vessel_id
"filtrate_vessel": actual_filtrate_vessel,
"temp": temp,
"volume": final_volume
}
}
action_sequence.append(filter_action)
debug_print(f" ✅ 过滤动作: → {actual_filtrate_vessel} 🌊")
# 🔧 新增:更新体积 - 过滤后(液体被滤除)
# 假设滤液完全被移除,固体残留在容器中
filtered_volume = current_volume * 0.9 # 假设90%的液体被过滤掉
current_volume = current_volume - filtered_volume
if isinstance(vessel, dict):
update_vessel_volume(vessel, G, current_volume,
f"{cycle+1}次清洗过滤后")
# 4. 等待(缩短时间)
wait_time = 5.0 # 🕐 缩短等待时间10s → 5s
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": wait_time}
})
# 步骤3如果需要搅拌开始搅拌
if stir and stir_speed > 0 and stirrer_id:
if time > 0:
# 定时搅拌
action_sequence.append({
"device_id": stirrer_id,
"action_name": "stir",
"action_kwargs": {
"stir_time": time,
"stir_speed": stir_speed,
"settling_time": 30.0 # 搅拌后静置30秒
}
})
else:
# 开始搅拌(需要手动停止)
action_sequence.append({
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
"stir_speed": stir_speed,
"purpose": f"固体清洗搅拌 - 第 {repeat_num}"
}
})
# 步骤4如果指定了清洗时间但没有搅拌等待清洗时间
if time > 0 and (not stir or stir_speed == 0):
# 这里可以添加等待操作,暂时跳过
pass
# 步骤5如果有搅拌且没有定时停止搅拌
if stir and stir_speed > 0 and time == 0 and stirrer_id:
action_sequence.append({
"device_id": stirrer_id,
"action_name": "stop_stir",
"action_kwargs": {
"vessel": vessel
}
})
# 步骤6过滤分离固体和滤液
if filter_id:
action_sequence.append({
"device_id": filter_id,
"action_name": "filter_sample",
"action_kwargs": {
"vessel": vessel,
"filtrate_vessel": filtrate_vessel,
"stir": False,
"stir_speed": 0.0,
"temp": temp,
"continue_heatchill": temp > 25.0,
"volume": volume
}
})
else:
# 没有专门的过滤设备,使用转移泵模拟过滤过程
# 将滤液转移到滤液容器
action_sequence.append({
"device_id": pump_id,
"action_name": "transfer",
"action_kwargs": {
"from_vessel": vessel,
"to_vessel": filtrate_vessel,
"volume": volume,
"amount": f"转移滤液 - 第 {repeat_num} 次清洗",
"time": 0.0,
"viscous": False,
"rinsing_solvent": "",
"rinsing_volume": 0.0,
"rinsing_repeats": 0,
"solid": False
}
})
# 步骤7如果加热了停止加热在最后一次清洗后
if temp > 25.0 and heatchill_id and repeat_num == repeats:
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel
}
})
debug_print(f" ✅ 等待: {wait_time}s ⏰")
return action_sequence
# 🔧 新增:清洗完成后的最终状态报告
if isinstance(vessel, dict):
final_volume_vessel = get_vessel_liquid_volume(vessel)
else:
final_volume_vessel = current_volume
# 🎊 总结
debug_print("🧼" * 20)
debug_print(f"🎉 固体清洗协议生成完成! ✨")
debug_print(f"📊 协议统计:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" 🥽 清洗容器: {vessel_display}")
debug_print(f" 🧪 使用溶剂: {solvent}")
debug_print(f" 💧 单次体积: {final_volume}mL")
debug_print(f" 🔄 清洗次数: {final_repeats}")
debug_print(f" 💧 总溶剂用量: {total_solvent_used:.2f}mL")
debug_print(f"📊 体积变化统计:")
debug_print(f" - 清洗前体积: {original_volume:.2f}mL")
debug_print(f" - 清洗后体积: {final_volume_vessel:.2f}mL")
debug_print(f" - 溶剂总用量: {total_solvent_used:.2f}mL")
debug_print(f"⏱️ 预计总时间: {(final_time + 5) * final_repeats / 60:.1f} 分钟")
debug_print("🧼" * 20)
return action_sequence
# 🔧 新增:便捷函数
def wash_with_water(G: nx.DiGraph, vessel: Union[str, dict],
volume: Union[float, str] = "50",
repeats: int = 2) -> List[Dict[str, Any]]:
"""用水清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"💧 水洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, "water", volume=volume, repeats=repeats)
def wash_with_ethanol(G: nx.DiGraph, vessel: Union[str, dict],
volume: Union[float, str] = "30",
repeats: int = 1) -> List[Dict[str, Any]]:
"""用乙醇清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🍺 乙醇洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, "ethanol", volume=volume, repeats=repeats)
def wash_with_acetone(G: nx.DiGraph, vessel: Union[str, dict],
volume: Union[float, str] = "25",
repeats: int = 1) -> List[Dict[str, Any]]:
"""用丙酮清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"💨 丙酮洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, "acetone", volume=volume, repeats=repeats)
def wash_with_ether(G: nx.DiGraph, vessel: Union[str, dict],
volume: Union[float, str] = "40",
repeats: int = 2) -> List[Dict[str, Any]]:
"""用乙醚清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🌬️ 乙醚洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, "diethyl_ether", volume=volume, repeats=repeats)
def wash_with_cold_solvent(G: nx.DiGraph, vessel: Union[str, dict],
solvent: str, volume: Union[float, str] = "30",
repeats: int = 1) -> List[Dict[str, Any]]:
"""用冷溶剂清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"❄️ 冷{solvent}洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
temp=5.0, repeats=repeats)
def wash_with_hot_solvent(G: nx.DiGraph, vessel: Union[str, dict],
solvent: str, volume: Union[float, str] = "50",
repeats: int = 1) -> List[Dict[str, Any]]:
"""用热溶剂清洗固体"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🔥 热{solvent}洗固体: {vessel_display} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
temp=60.0, repeats=repeats)
def wash_with_stirring(G: nx.DiGraph, vessel: Union[str, dict],
solvent: str, volume: Union[float, str] = "50",
stir_time: Union[str, float] = "5 min",
repeats: int = 1) -> List[Dict[str, Any]]:
"""带搅拌的溶剂清洗"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🌪️ 搅拌清洗: {vessel_display} with {solvent} ({repeats} 次)")
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
stir=True, stir_speed=200.0,
time=stir_time, repeats=repeats)
def thorough_wash(G: nx.DiGraph, vessel: Union[str, dict],
solvent: str, volume: Union[float, str] = "50") -> List[Dict[str, Any]]:
"""彻底清洗(多次重复)"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"🔄 彻底清洗: {vessel_display} with {solvent} (5 次)")
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=5)
def quick_rinse(G: nx.DiGraph, vessel: Union[str, dict],
solvent: str, volume: Union[float, str] = "20") -> List[Dict[str, Any]]:
"""快速冲洗(单次,小体积)"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"⚡ 快速冲洗: {vessel_display} with {solvent}")
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=1)
def sequential_wash(G: nx.DiGraph, vessel: Union[str, dict],
solvents: list, volume: Union[float, str] = "40") -> List[Dict[str, Any]]:
"""连续多溶剂清洗"""
vessel_display = get_vessel_display_info(vessel)
debug_print(f"📝 连续清洗: {vessel_display} with {''.join(solvents)}")
action_sequence = []
for solvent in solvents:
wash_actions = generate_wash_solid_protocol(G, vessel, solvent,
volume=volume, repeats=1)
action_sequence.extend(wash_actions)
return action_sequence
# 测试函数
def test_wash_solid_protocol():
"""测试固体清洗协议"""
debug_print("🧪 === WASH SOLID PROTOCOL 测试 === ✨")
# 测试vessel参数处理
debug_print("🔧 测试vessel参数处理...")
# 测试字典格式
vessel_dict = {"id": "filter_flask_1", "name": "过滤瓶1",
"data": {"liquid_volume": 25.0}}
vessel_id = extract_vessel_id(vessel_dict)
vessel_display = get_vessel_display_info(vessel_dict)
volume = get_vessel_liquid_volume(vessel_dict)
debug_print(f" 字典格式: {vessel_dict}")
debug_print(f" → ID: {vessel_id}, 显示: {vessel_display}, 体积: {volume}mL")
# 测试字符串格式
vessel_str = "filter_flask_2"
vessel_id = extract_vessel_id(vessel_str)
vessel_display = get_vessel_display_info(vessel_str)
debug_print(f" 字符串格式: {vessel_str}")
debug_print(f" → ID: {vessel_id}, 显示: {vessel_display}")
debug_print("✅ 测试完成 🎉")
if __name__ == "__main__":
test_wash_solid_protocol()