pychemstation 0.10.8.dev3__tar.gz → 0.10.10__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/PKG-INFO +17 -12
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/README.md +16 -11
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/analysis/process_report.py +3 -1
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/data_aq/method.py +8 -14
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/data_aq/sequence.py +29 -78
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/hplc.py +0 -1
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/abc_comm.py +7 -2
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/run.py +2 -6
- pychemstation-0.10.10/pychemstation/utils/device_types.py +7 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/sequence_types.py +0 -2
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pyproject.toml +1 -1
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/comm/out.txt +111 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/constants.py +5 -5
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/edit/test_edit_sequence.py +8 -2
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/test_offline.py +3 -4
- pychemstation-0.10.10/tests/load/test_load_bottles.py +0 -0
- pychemstation-0.10.10/tests/load/test_load_dad.py +0 -0
- pychemstation-0.10.10/tests/load/test_load_sample_info.py +0 -0
- pychemstation-0.10.8.dev3/tests/load/test_load_method.py → pychemstation-0.10.10/tests/load/test_switch_method.py +4 -4
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/run/test_run_method.py +17 -6
- pychemstation-0.10.10/tests/run/test_run_sequence.py +79 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/test_integration.py +29 -32
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/uv.lock +16 -45
- pychemstation-0.10.8.dev3/tests/edit/out.txt +0 -4842
- pychemstation-0.10.8.dev3/tests/edit/working_method_edit.txt +0 -211
- pychemstation-0.10.8.dev3/tests/load/out.txt +0 -198
- pychemstation-0.10.8.dev3/tests/run/out.txt +0 -324
- pychemstation-0.10.8.dev3/tests/run/test_run_sequence.py +0 -231
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/.gitignore +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/.gitlab-ci.yml +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/.pre-commit-config.yaml +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/CHANGELOG.md +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/CONTRIBUTING.md +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/LICENSE +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/branch-rename.sh +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/index.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/analysis/base_spectrum.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/analysis/spec_utils.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/analysis/utils.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/analysis.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/control/chromatogram.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/control/hplc.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/control.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/generated.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/utils/chemstation.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/utils/constants.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/utils/hplc_param_types.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation/utils.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/pychemstation.html +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/doc/search.js +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/out.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/analysis/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/analysis/base_spectrum.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/analysis/chromatogram.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/README.md +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/README.md +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/comm.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/data_aq/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/devices/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/control/controllers/devices/injector.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/generated/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/generated/dad_method.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/generated/pump_method.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/device.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/table.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/injector_types.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/macro.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/method_types.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/mocking/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/mocking/mock_comm.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/mocking/mock_hplc.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/num_utils.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/parsing.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/spec_utils.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/table_types.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/tray_types.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation.egg-info/PKG-INFO +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation.egg-info/SOURCES.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation.egg-info/dependency_links.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation.egg-info/requires.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation.egg-info/top_level.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/__init__.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/comm/test_dirs.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/comm/test_hplc_comm.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/dtypes/test_abc.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/edit/test_edit_method.py +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/0_2025-03-15 19-14-35.PDF +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/ACQRES.REG +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/CSlbk.ini +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DA.M/DAMETHOD.REG +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DA.M/INFO.MTH +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DA.M/RECALIB.MTH +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DA.M/rpthead.txt +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1.UV +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1A.ch +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1A.npz +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1B.ch +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1B.npz +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1C.ch +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1C.npz +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1D.ch +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1D.npz +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1E.ch +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DAD1E.npz +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/DiagResults.REG +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/PMP1.AnalyticalResults.drvml +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/REPORT01.CSV +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/REPORT02.CSV +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/REPORT03.CSV +0 -0
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- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/RUN.LOG +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/Report.TXT +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/Report00.CSV +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/Report01.xls +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/SAMPLE.XML +0 -0
- {pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/tests/files/0_2025-03-15 19-14-35.D/SAMPLE.XML.bak +0 -0
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Name: pychemstation
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Version: 0.10.
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Version: 0.10.10
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Summary: Library to interact with Chemstation software, primarily used in Hein lab
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Project-URL: Documentation, https://pychemstation-e5a086.gitlab.io/pychemstation.html
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[](https://pypi.org/project/pychemstation/)
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> **_NOTE:_** If you are running Python **3.8**, use versions 0.**8**.x. If you are running Python **3.9** use versions 0.**9**.x.
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> If you are running Python **>=3.10**, use version 0.**10**.x. Older versions of pychemstation are not the most feature-rich and bug-free. Please consider upgrading to using Python 3.10!
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Unofficial Python package to control Agilent Chemstation; we are not affiliated with Agilent.
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Check out the [docs](https://pychemstation-e5a086.gitlab.io/pychemstation.html) for usage instructions. This project is under
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## Example Usage
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```python
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> If you are running Python **>=3.10**, use version 0.**10**.x. Older versions of pychemstation are not the most feature-rich and bug-free. Please consider upgrading to using Python 3.10!
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Unofficial Python package to control Agilent Chemstation; we are not affiliated with Agilent.
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Check out the [docs](https://pychemstation-e5a086.gitlab.io/pychemstation.html) for usage instructions. This project is under
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@@ -48,21 +47,17 @@ HPLCTalk_Run
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## Example Usage
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```python
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import time
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from pychemstation.control import HPLCController
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from pychemstation.utils.method_types import *
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import pandas as pd
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DEFAULT_METHOD_DIR = "C:\\ChemStation\\1\\Methods\\"
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SEQUENCE_DIR = "C:\\USERS\\PUBLIC\\DOCUMENTS\\CHEMSTATION\\3\\Sequence"
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DEFAULT_COMMAND_PATH = "C:\\Users\\User\\Desktop\\Lucy\\"
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DATA_DIR_3 = "C:\\Users\\Public\\Documents\\ChemStation\\3\\Data"
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CUSTOM_DATA_DIR = "C:\\Users\\Public\\Documents\\ChemStation\\2\\Data\\MyData"
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# Initialize HPLC Controller
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hplc_controller = HPLCController(extra_data_dirs=[
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comm_dir=DEFAULT_COMMAND_PATH
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method_dir=DEFAULT_METHOD_DIR,
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sequence_dir=SEQUENCE_DIR)
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hplc_controller = HPLCController(extra_data_dirs=[CUSTOM_DATA_DIR],
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comm_dir=DEFAULT_COMMAND_PATH)
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# Switching a method
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hplc_controller.switch_method("General-Poroshell")
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hplc_controller.edit_method(new_method)
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# Run a method and get a report or data from last run method
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hplc_controller.run_method(experiment_name="test_experiment")
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hplc_controller.run_method(experiment_name="test_experiment", stall_while_running=False)
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time_left, done = hplc_controller.check_method_complete()
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while not done:
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print(time_left)
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time.sleep(time_left/2)
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time_left, done = hplc_controller.check_method_complete()
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# Save the path the HPLC data for later!
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file_path = hplc_controller.get_last_run_method_file_path()
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# Make sure CSV reports are being generated in the post-run MACRO!
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report = hplc_controller.get_last_run_method_report()
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vial_location = report.vial_location
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{pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/analysis/process_report.py
RENAMED
@@ -83,7 +83,9 @@ class CSVProcessor(ReportProcessor):
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if "00" in name and file_extension.lower() == "csv":
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prefix, _, _ = name.partition("00")
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return prefix
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raise FileNotFoundError(
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raise FileNotFoundError(
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"Couldn't find the prefix for CSV, please make sure the post-run settings generate a CSV."
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)
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def report_contains(self, labels: List[str], want: List[str]):
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for label in labels:
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import os
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import time
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import warnings
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from typing import Dict, List, Optional,
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from typing import Dict, List, Optional, Union, Tuple
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from result import Err, Ok, Result
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@@ -51,9 +51,7 @@ class MethodController(RunController):
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)
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def get_current_method_name(self) -> str:
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self.send(Command.GET_METHOD_CMD)
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time.sleep(2)
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self.sleepy_send(Command.GET_METHOD_CMD)
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res = self.receive()
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if res.is_ok():
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return res.ok_value.string_response
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method_dir=method_dir, method_name=method_name
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)
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)
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time.sleep(2)
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self.send(Command.GET_METHOD_CMD)
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time.sleep(2)
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)
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if isinstance(method_param.chemstation_key, list):
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for register_flag in method_param.chemstation_key:
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self.
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self.sleepy_send(
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setting_command.value.format(
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register=register,
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register_flag=register_flag,
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)
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)
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else:
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self.
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self.sleepy_send(
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setting_command.value.format(
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register=register,
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register_flag=method_param.chemstation_key,
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val=method_param.val,
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)
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)
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self.download()
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def download(self):
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self.sleepy_send("DownloadRCMethod PMP1")
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self.send("Sleep 1")
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def _edit_row(
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self,
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else:
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warnings.warn(run_completed.err_value)
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else:
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folder = self._fuzzy_match_most_recent_folder(self.data_files[-1])
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i = 0
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while folder.is_err() and i < 10:
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folder = self._fuzzy_match_most_recent_folder(self.data_files[-1]
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folder = self._fuzzy_match_most_recent_folder(self.data_files[-1])
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i += 1
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self.data_files[-1] = folder.ok_value
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warnings.warn(warning)
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def _fuzzy_match_most_recent_folder(
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self, most_recent_folder: T
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self, most_recent_folder: T
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) -> Result[str, str]:
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if isinstance(most_recent_folder, str) or isinstance(most_recent_folder, bytes):
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if os.path.exists(most_recent_folder):
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return Ok(most_recent_folder)
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return Ok(str(most_recent_folder))
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return Err("Folder not found!")
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raise ValueError("Folder is not a str or byte type.")
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import os
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import time
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import warnings
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from typing import Any, Dict, List, Optional, Union,
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from typing import Any, Dict, List, Optional, Union, Tuple
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from result import Err, Ok, Result
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from typing_extensions import override
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under the <data_dir>/<sequence table name> folder.
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Device must be ready.
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"""
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if self.controller:
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self.controller.send(Command.SAVE_METHOD_CMD)
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self.controller.send(Command.SAVE_SEQUENCE_CMD)
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else:
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raise ValueError("Controller is offline!")
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current_sequence_name = self.get_current_sequence_name()
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if not self.table_state or self.table_state.name not in current_sequence_name:
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timestamp = time.strftime(SEQUENCE_TIME_FORMAT)
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folder_name = f"{self.table_state.name} {timestamp}"
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self.send(Command.SAVE_METHOD_CMD)
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self.send(Command.SAVE_SEQUENCE_CMD)
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self.send(Command.RUN_SEQUENCE_CMD.value)
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self.timeout = total_runtime * 60
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hplc_running = self.check_hplc_is_running()
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if hplc_running:
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break
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else:
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self.send(Command.RUN_SEQUENCE_CMD.value)
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if hplc_running:
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full_path_name, current_sample_file = self.try_getting_run_info(folder_name)
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if full_path_name and current_sample_file:
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data_file = SequenceDataFiles(
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sequence_name=self.table_state.name,
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dir=full_path_name,
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_data_files=[r.data_file for r in self.table_state.rows],
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child_dirs=[os.path.join(full_path_name, current_sample_file)],
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)
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self.data_files.append(data_file)
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@@ -374,64 +372,25 @@ class SequenceController(RunController):
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)
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except ValueError:
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pass
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res = self.controller.receive()
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if res.is_ok():
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if os.path.isdir(res.ok_value.string_response):
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if folder_name in res.ok_value.string_response:
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full_path_name = res.ok_value.string_response
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-
else:
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raise ValueError("Could not get sequence data folder.")
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else:
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raise ValueError("Controller is offline.")
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-
if current_sample_file and full_path_name:
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-
return full_path_name, current_sample_file
|
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-
elif full_path_name:
|
394
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-
return full_path_name, None
|
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-
else:
|
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-
raise ValueError("Could not get sequence data folder")
|
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+
if current_sample_file and full_path_name:
|
376
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+
return full_path_name, current_sample_file
|
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+
elif full_path_name:
|
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+
return full_path_name, None
|
379
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+
raise ValueError("Could not get sequence data folder")
|
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|
@override
|
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def _fuzzy_match_most_recent_folder(
|
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-
self, most_recent_folder: T
|
383
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+
self, most_recent_folder: T
|
401
384
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) -> Result[SequenceDataFiles, str]:
|
402
385
|
if isinstance(most_recent_folder, SequenceDataFiles):
|
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386
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try:
|
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387
|
if most_recent_folder.dir and os.path.isdir(most_recent_folder.dir):
|
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subdirs = [x[0] for x in os.walk(most_recent_folder.dir)]
|
406
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-
|
407
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-
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408
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-
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-
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410
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-
|
411
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-
most_recent_folder.child_dirs = [
|
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os.path.join(most_recent_folder.dir, f)
|
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-
if not os.path.isdir(f)
|
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|
-
else f
|
415
|
-
for f in child_dirs
|
416
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-
]
|
417
|
-
for d in most_recent_folder.child_dirs:
|
418
|
-
assert os.path.isdir(d)
|
419
|
-
else:
|
420
|
-
potential_folders: List[str] = sorted(
|
421
|
-
list(
|
422
|
-
filter(
|
423
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-
lambda d: most_recent_folder.dir in d,
|
424
|
-
subdirs,
|
425
|
-
)
|
426
|
-
)
|
427
|
-
)
|
428
|
-
most_recent_folder.child_dirs = [
|
429
|
-
f
|
430
|
-
for f in potential_folders
|
431
|
-
if most_recent_folder.dir in f
|
432
|
-
and ".M" not in f
|
433
|
-
and ".D" in f
|
434
|
-
]
|
389
|
+
most_recent_folder.child_dirs = [
|
390
|
+
f
|
391
|
+
for f in subdirs
|
392
|
+
if most_recent_folder.dir in f and ".D" in f and f[-1] == "D"
|
393
|
+
]
|
435
394
|
return Ok(most_recent_folder)
|
436
395
|
else:
|
437
396
|
return Err("No sequence folder found, please give the full path.")
|
@@ -446,14 +405,11 @@ class SequenceController(RunController):
|
|
446
405
|
if custom_path
|
447
406
|
else self.data_files[-1]
|
448
407
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)
|
449
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-
|
450
|
-
|
451
|
-
|
452
|
-
|
453
|
-
|
454
|
-
seq_data_dir = search_folder.ok_value
|
455
|
-
else:
|
456
|
-
raise FileNotFoundError(search_folder.err_value)
|
408
|
+
search_folder = self._fuzzy_match_most_recent_folder(seq_data_dir)
|
409
|
+
if search_folder.is_ok():
|
410
|
+
seq_data_dir = search_folder.ok_value
|
411
|
+
else:
|
412
|
+
raise FileNotFoundError(search_folder.err_value)
|
457
413
|
all_w_spectra: List[Dict[int, AgilentHPLCChromatogram]] = []
|
458
414
|
for row in seq_data_dir.child_dirs:
|
459
415
|
all_w_spectra.append(self.get_data_uv(custom_path=row))
|
@@ -477,10 +433,9 @@ class SequenceController(RunController):
|
|
477
433
|
if custom_path
|
478
434
|
else self.data_files[-1]
|
479
435
|
)
|
480
|
-
|
481
|
-
|
482
|
-
|
483
|
-
).ok_value
|
436
|
+
self.data_files[-1] = self._fuzzy_match_most_recent_folder(
|
437
|
+
seq_file_dir
|
438
|
+
).ok_value
|
484
439
|
spectra: List[AgilentChannelChromatogramData] = []
|
485
440
|
for row in self.data_files[-1].child_dirs:
|
486
441
|
self.get_spectrum_at_channels(row)
|
@@ -499,17 +454,13 @@ class SequenceController(RunController):
|
|
499
454
|
dir=custom_path,
|
500
455
|
sequence_name="NA",
|
501
456
|
),
|
502
|
-
child_dirs=None,
|
503
457
|
).ok_value
|
504
458
|
)
|
505
459
|
parent_dir = self.data_files[-1]
|
506
|
-
|
507
|
-
|
508
|
-
|
509
|
-
)
|
510
|
-
parent_dir = self._fuzzy_match_most_recent_folder(
|
511
|
-
most_recent_folder=parent_dir, child_dirs=None
|
512
|
-
)
|
460
|
+
parent_dir = self._fuzzy_match_most_recent_folder(
|
461
|
+
most_recent_folder=parent_dir,
|
462
|
+
).ok_value
|
463
|
+
assert len(parent_dir.child_dirs) != 0
|
513
464
|
spectra = self.get_data()
|
514
465
|
reports = []
|
515
466
|
for i, child_dir in enumerate(parent_dir.child_dirs):
|
@@ -252,7 +252,6 @@ class HPLCController:
|
|
252
252
|
if len(self.sequence_controller.data_files):
|
253
253
|
self.sequence_controller._fuzzy_match_most_recent_folder(
|
254
254
|
most_recent_folder=self.sequence_controller.data_files[-1],
|
255
|
-
child_dirs=set(),
|
256
255
|
)
|
257
256
|
return self.sequence_controller.data_files[-1]
|
258
257
|
else:
|
{pychemstation-0.10.8.dev3 → pychemstation-0.10.10}/pychemstation/utils/abc_tables/abc_comm.py
RENAMED
@@ -88,10 +88,15 @@ class ABCCommunicationController(abc.ABC):
|
|
88
88
|
:return: whether the HPLC machine is in a safe state to retrieve data back."""
|
89
89
|
self.set_status()
|
90
90
|
hplc_avail = isinstance(self._most_recent_hplc_status, HPLCAvailStatus)
|
91
|
-
time.sleep(
|
91
|
+
time.sleep(10)
|
92
92
|
self.set_status()
|
93
93
|
hplc_actually_avail = isinstance(self._most_recent_hplc_status, HPLCAvailStatus)
|
94
|
-
|
94
|
+
time.sleep(10)
|
95
|
+
self.set_status()
|
96
|
+
hplc_final_check_avail = isinstance(
|
97
|
+
self._most_recent_hplc_status, HPLCAvailStatus
|
98
|
+
)
|
99
|
+
return hplc_avail and hplc_actually_avail and hplc_final_check_avail
|
95
100
|
|
96
101
|
def sleepy_send(self, cmd: Union[Command, str]):
|
97
102
|
self.send("Sleep 0.1")
|
@@ -94,9 +94,7 @@ class RunController(ABCTableController, abc.ABC):
|
|
94
94
|
return object.__new__(cls)
|
95
95
|
|
96
96
|
@abc.abstractmethod
|
97
|
-
def _fuzzy_match_most_recent_folder(
|
98
|
-
self, most_recent_folder: T, child_dirs: Set[str]
|
99
|
-
) -> Result[T, str]:
|
97
|
+
def _fuzzy_match_most_recent_folder(self, most_recent_folder: T) -> Result[T, str]:
|
100
98
|
pass
|
101
99
|
|
102
100
|
@abc.abstractmethod
|
@@ -192,9 +190,7 @@ class RunController(ABCTableController, abc.ABC):
|
|
192
190
|
else:
|
193
191
|
raise ValueError("Timeout value is None, no comparison can be made.")
|
194
192
|
|
195
|
-
check_folder = self._fuzzy_match_most_recent_folder(
|
196
|
-
self.data_files[-1], self.current_run_child_files
|
197
|
-
)
|
193
|
+
check_folder = self._fuzzy_match_most_recent_folder(self.data_files[-1])
|
198
194
|
if check_folder.is_ok() and finished_run:
|
199
195
|
return check_folder
|
200
196
|
elif check_folder.is_ok():
|
@@ -13,13 +13,11 @@ class SequenceDataFiles:
|
|
13
13
|
|
14
14
|
:param sequence_name: the name of the sequence that is running
|
15
15
|
:param dir: the complete path of the directory generated for the sequence
|
16
|
-
:param _data_files: the names of the files of the sequence runs, ends with ".D"
|
17
16
|
:param child_dirs: the complete path of the files for sequence runs, contains the Chemstation data, `dir` and the sample run file.
|
18
17
|
"""
|
19
18
|
|
20
19
|
sequence_name: str
|
21
20
|
dir: str
|
22
|
-
_data_files: List[str] = field(default_factory=list)
|
23
21
|
child_dirs: List[str] = field(default_factory=list)
|
24
22
|
|
25
23
|
|
@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
|
|
4
4
|
|
5
5
|
[project]
|
6
6
|
name = "pychemstation"
|
7
|
-
version = "0.10.
|
7
|
+
version = "0.10.10"
|
8
8
|
description = "Library to interact with Chemstation software, primarily used in Hein lab"
|
9
9
|
authors = [{ name = "lucyhao", email = "hao.lucyy@gmail.com" }]
|
10
10
|
requires-python = ">=3.10"
|
@@ -196,3 +196,114 @@ SaveSequence _SeqPath$, _SeqFile$
|
|
196
196
|
macro "SHUTDOWN.MAC" ,go
|
197
197
|
Standby
|
198
198
|
response$ = AcqStatus$
|
199
|
+
response$ = AcqStatus$
|
200
|
+
response$ = _METHPATH$
|
201
|
+
response$ = _SEQUENCEPATHS$
|
202
|
+
response$ = _DATAPATHS$
|
203
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
204
|
+
SaveSequence _SeqPath$, _SeqFile$
|
205
|
+
macro "SHUTDOWN.MAC" ,go
|
206
|
+
response_num = 10
|
207
|
+
response$ = AcqStatus$
|
208
|
+
response$ = _METHPATH$
|
209
|
+
response$ = _SEQUENCEPATHS$
|
210
|
+
response$ = _DATAPATHS$
|
211
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
212
|
+
SaveSequence _SeqPath$, _SeqFile$
|
213
|
+
macro "SHUTDOWN.MAC" ,go
|
214
|
+
LoadMethod "C:\ChemStation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
|
215
|
+
response$ = _MethFile$
|
216
|
+
response$ = _MethFile$
|
217
|
+
response$ = AcqStatus$
|
218
|
+
response$ = _METHPATH$
|
219
|
+
response$ = _SEQUENCEPATHS$
|
220
|
+
response$ = _DATAPATHS$
|
221
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
222
|
+
SaveSequence _SeqPath$, _SeqFile$
|
223
|
+
macro "SHUTDOWN.MAC" ,go
|
224
|
+
response$ = _MethFile$
|
225
|
+
response$ = AcqStatus$
|
226
|
+
response$ = _METHPATH$
|
227
|
+
response$ = _SEQUENCEPATHS$
|
228
|
+
response$ = _DATAPATHS$
|
229
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
230
|
+
SaveSequence _SeqPath$, _SeqFile$
|
231
|
+
macro "SHUTDOWN.MAC" ,go
|
232
|
+
Local TestNum
|
233
|
+
TestNum = 0
|
234
|
+
Print TestNum
|
235
|
+
response_num = TestNum
|
236
|
+
Print response_num
|
237
|
+
response$ = AcqStatus$
|
238
|
+
response$ = _METHPATH$
|
239
|
+
response$ = _SEQUENCEPATHS$
|
240
|
+
response$ = _DATAPATHS$
|
241
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
242
|
+
SaveSequence _SeqPath$, _SeqFile$
|
243
|
+
macro "SHUTDOWN.MAC" ,go
|
244
|
+
PrepRun
|
245
|
+
response$ = AcqStatus$
|
246
|
+
response$ = AcqStatus$
|
247
|
+
response$ = _METHPATH$
|
248
|
+
response$ = _SEQUENCEPATHS$
|
249
|
+
response$ = _DATAPATHS$
|
250
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
251
|
+
SaveSequence _SeqPath$, _SeqFile$
|
252
|
+
macro "SHUTDOWN.MAC" ,go
|
253
|
+
Standby
|
254
|
+
response$ = AcqStatus$
|
255
|
+
response$ = AcqStatus$
|
256
|
+
response$ = _METHPATH$
|
257
|
+
response$ = _DATAPATHS$
|
258
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
259
|
+
SaveSequence _SeqPath$, _SeqFile$
|
260
|
+
macro "SHUTDOWN.MAC" ,go
|
261
|
+
response_num = 10
|
262
|
+
response$ = AcqStatus$
|
263
|
+
response$ = _METHPATH$
|
264
|
+
response$ = _SEQUENCEPATHS$
|
265
|
+
response$ = _DATAPATHS$
|
266
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
267
|
+
SaveSequence _SeqPath$, _SeqFile$
|
268
|
+
macro "SHUTDOWN.MAC" ,go
|
269
|
+
LoadMethod "C:\ChemStation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
|
270
|
+
response$ = _MethFile$
|
271
|
+
response$ = _MethFile$
|
272
|
+
response$ = AcqStatus$
|
273
|
+
response$ = _METHPATH$
|
274
|
+
response$ = _SEQUENCEPATHS$
|
275
|
+
response$ = _DATAPATHS$
|
276
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
277
|
+
SaveSequence _SeqPath$, _SeqFile$
|
278
|
+
macro "SHUTDOWN.MAC" ,go
|
279
|
+
response$ = _MethFile$
|
280
|
+
response$ = AcqStatus$
|
281
|
+
response$ = _METHPATH$
|
282
|
+
response$ = _SEQUENCEPATHS$
|
283
|
+
response$ = _DATAPATHS$
|
284
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
285
|
+
SaveSequence _SeqPath$, _SeqFile$
|
286
|
+
macro "SHUTDOWN.MAC" ,go
|
287
|
+
Local TestNum
|
288
|
+
TestNum = 0
|
289
|
+
Print TestNum
|
290
|
+
response_num = TestNum
|
291
|
+
Print response_num
|
292
|
+
response$ = AcqStatus$
|
293
|
+
response$ = _METHPATH$
|
294
|
+
response$ = _SEQUENCEPATHS$
|
295
|
+
response$ = _DATAPATHS$
|
296
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
297
|
+
SaveSequence _SeqPath$, _SeqFile$
|
298
|
+
macro "SHUTDOWN.MAC" ,go
|
299
|
+
PrepRun
|
300
|
+
response$ = AcqStatus$
|
301
|
+
response$ = AcqStatus$
|
302
|
+
response$ = _METHPATH$
|
303
|
+
response$ = _SEQUENCEPATHS$
|
304
|
+
response$ = _DATAPATHS$
|
305
|
+
SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
|
306
|
+
SaveSequence _SeqPath$, _SeqFile$
|
307
|
+
macro "SHUTDOWN.MAC" ,go
|
308
|
+
Standby
|
309
|
+
response$ = AcqStatus$
|
@@ -117,11 +117,11 @@ def set_up_utils(
|
|
117
117
|
)
|
118
118
|
)
|
119
119
|
controller.send(Command.SAVE_SEQUENCE_CMD)
|
120
|
-
|
121
|
-
|
122
|
-
|
123
|
-
|
124
|
-
|
120
|
+
if runs:
|
121
|
+
controller.instrument_on()
|
122
|
+
controller.preprun()
|
123
|
+
else:
|
124
|
+
controller.instrument_off()
|
125
125
|
return controller
|
126
126
|
|
127
127
|
|
@@ -31,7 +31,13 @@ class TestSequence(unittest.TestCase):
|
|
31
31
|
def setUp(self):
|
32
32
|
num = 242
|
33
33
|
self.hplc_controller = set_up_utils(num, offline=False, runs=False)
|
34
|
-
self.other_default =
|
34
|
+
self.other_default = (
|
35
|
+
os.path.join(self.hplc_controller.method_controller.src, DEFAULT_METHOD_242)
|
36
|
+
if num == 242
|
37
|
+
else os.path.join(
|
38
|
+
self.hplc_controller.method_controller.src, DEFAULT_METHOD_254
|
39
|
+
)
|
40
|
+
)
|
35
41
|
self.hplc_controller.switch_sequence(DEFAULT_SEQUENCE)
|
36
42
|
self.meth_path = os.path.join(
|
37
43
|
self.hplc_controller.method_controller.src, DEFAULT_METHOD
|
@@ -284,7 +290,7 @@ class TestSequence(unittest.TestCase):
|
|
284
290
|
)
|
285
291
|
seq_table.rows[1].method = self.other_default
|
286
292
|
self.hplc_controller.sequence_controller.edit_method_name(
|
287
|
-
seq_table.rows[1].method,
|
293
|
+
seq_table.rows[1].method, 2
|
288
294
|
)
|
289
295
|
loaded_seq = self.hplc_controller.load_sequence()
|
290
296
|
self.assertEqual(seq_table, loaded_seq)
|
@@ -39,15 +39,15 @@ class TestOffline(unittest.TestCase):
|
|
39
39
|
)
|
40
40
|
try:
|
41
41
|
most_recent_folder = self.hplc_controller.sequence_controller.data_files[-1]
|
42
|
+
chrom = self.hplc_controller.get_last_run_sequence_data()
|
43
|
+
report = self.hplc_controller.get_last_run_sequence_reports()
|
42
44
|
check_folder = self.hplc_controller.sequence_controller._fuzzy_match_most_recent_folder(
|
43
|
-
most_recent_folder=most_recent_folder,
|
45
|
+
most_recent_folder=most_recent_folder,
|
44
46
|
)
|
45
47
|
self.assertEqual(check_folder.ok_value.dir, os.path.join(self.cwd, path))
|
46
48
|
self.hplc_controller.sequence_controller.data_files[
|
47
49
|
-1
|
48
50
|
].dir = check_folder.ok_value
|
49
|
-
chrom = self.hplc_controller.get_last_run_sequence_data()
|
50
|
-
report = self.hplc_controller.get_last_run_sequence_reports()
|
51
51
|
self.assertEqual(len(report), len(chrom))
|
52
52
|
self.assertEqual(report[0].vial_location, FiftyFourVialPlate.from_int(4097))
|
53
53
|
self.assertEqual(len(report[0].signals), 5)
|
@@ -115,7 +115,6 @@ class TestOffline(unittest.TestCase):
|
|
115
115
|
SequenceDataFiles(
|
116
116
|
dir=os.path.join(os.getcwd(), "hplc_testing 2025-03-27 17-13-47"),
|
117
117
|
child_dirs=[],
|
118
|
-
_data_files=[],
|
119
118
|
sequence_name=DEFAULT_SEQUENCE,
|
120
119
|
)
|
121
120
|
)
|
File without changes
|
File without changes
|