pychemstation 0.10.7.dev1__tar.gz → 0.10.8.dev2__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-0.10.7.dev1 → pychemstation-0.10.8.dev2}/PKG-INFO +1 -1
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/comm.py +2 -2
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/method.py +1 -1
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/sequence.py +5 -1
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/sequence_types.py +5 -4
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pyproject.toml +1 -1
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/test_dirs.py +0 -1
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/constants.py +3 -3
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/run/test_run_sequence.py +18 -6
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.gitignore +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.gitlab-ci.yml +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.pre-commit-config.yaml +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/CHANGELOG.md +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/CONTRIBUTING.md +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/LICENSE +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/README.md +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/branch-rename.sh +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/index.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/base_spectrum.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/spec_utils.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/utils.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control/chromatogram.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control/hplc.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/generated.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/chemstation.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/constants.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/hplc_param_types.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation.html +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/search.js +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/out.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/base_spectrum.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/chromatogram.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/process_report.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/README.md +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/README.md +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/devices/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/devices/injector.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/hplc.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/dad_method.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/pump_method.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/abc_comm.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/device.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/run.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/table.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/injector_types.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/macro.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/method_types.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/mock_comm.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/mock_hplc.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/num_utils.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/parsing.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/spec_utils.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/table_types.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/tray_types.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/PKG-INFO +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/SOURCES.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/dependency_links.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/requires.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/top_level.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/__init__.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/cmd +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/out.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/test_hplc_comm.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/dtypes/test_abc.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/out.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/test_edit_method.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/test_edit_sequence.py +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/0_2025-03-15 19-14-35.PDF +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/ACQRES.REG +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/CSlbk.ini +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DA.M/DAMETHOD.REG +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DA.M/INFO.MTH +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DA.M/RECALIB.MTH +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DA.M/rpthead.txt +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1.UV +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1A.ch +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1A.npz +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1B.ch +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1B.npz +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1C.ch +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1C.npz +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1D.ch +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1D.npz +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1E.ch +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1E.npz +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DiagResults.REG +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/PMP1.AnalyticalResults.drvml +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/REPORT01.CSV +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/REPORT02.CSV +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/REPORT03.CSV +0 -0
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- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/REPORT05.CSV +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/RUN.LOG +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/Report.TXT +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/Report00.CSV +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/Report01.xls +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/SAMPLE.XML +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/SAMPLE.XML.bak +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/WLS1.Sampler.scml +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/acq.macaml +0 -0
- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/acq.txt +0 -0
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- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/acq_damethod.reg +0 -0
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- {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/single.B +0 -0
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Metadata-Version: 2.4
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Name: pychemstation
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Version: 0.10.
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Version: 0.10.8.dev2
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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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Project-URL: Repository, https://gitlab.com/heingroup/device-api/pychemstation
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{pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/comm.py
RENAMED
@@ -173,5 +173,5 @@ class CommunicationController(ABCCommunicationController):
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data_dirs[i] = "C:" + data_dir
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return method_dir, sequence_dir, data_dirs
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raise ValueError(
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f"One of the method: {method_dir}, sequence: {sequence_dir} or data directories: {data_dirs} could not be found, please provide your own."
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)
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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], None)
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and set(most_recent_folder._data_files) == child_dirs
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os.path.join(most_recent_folder.dir, f) if not os.path.isdir(f) else f for f in child_dirs
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for d in most_recent_folder.child_dirs:
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potential_folders: List[str] = sorted(
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list(
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parent_dir = self.data_files[-1]
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parent_dir = self._fuzzy_match_most_recent_folder(most_recent_folder=parent_dir, child_dirs=None)
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spectra = self.get_data()
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reports = []
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for i, child_dir in enumerate(parent_dir.child_dirs):
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@@ -78,10 +78,11 @@ class SequenceTable:
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78
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for self_row, other_row in zip(self.rows, other.rows):
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equal &= self_row.vial_location == other_row.vial_location
|
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equal &= self_row.data_file == other_row.data_file
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-
|
82
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-
|
83
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-
|
84
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-
|
81
|
+
if self_row.method and other_row.method:
|
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+
equal &= (
|
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+
os.path.split(os.path.normpath(self_row.method))[-1]
|
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|
+
== os.path.split(os.path.normpath(other_row.method))[-1]
|
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+
)
|
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equal &= self_row.num_inj == other_row.num_inj
|
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equal &= self_row.inj_vol == other_row.inj_vol
|
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equal &= self_row.inj_source == other_row.inj_source
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@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
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4
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[project]
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name = "pychemstation"
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-
version = "0.10.
|
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+
version = "0.10.8.dev2"
|
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8
|
description = "Library to interact with Chemstation software, primarily used in Hein lab"
|
9
9
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authors = [{ name = "lucyhao", email = "hao.lucyy@gmail.com" }]
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10
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requires-python = ">=3.10"
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@@ -101,9 +101,9 @@ def set_up_utils(
|
|
101
101
|
comm_dir = room(num)
|
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|
if not offline:
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if not os.path.exists(comm_dir):
|
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-
|
105
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-
|
106
|
-
|
104
|
+
raise FileNotFoundError(
|
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+
f"{comm_dir} does not exist on your system. If you would like to run tests, please change this path."
|
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+
)
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|
|
108
108
|
controller = HPLCController(
|
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|
offline=offline,
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@@ -42,12 +42,12 @@ class TestSequence(unittest.TestCase):
|
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42
42
|
self.hplc_controller.preprun()
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self.hplc_controller.run_sequence(stall_while_running=False)
|
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time_left, done = self.hplc_controller.check_sequence_complete()
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-
self.
|
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-
|
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|
-
)
|
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|
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self.assertIsNotNone(
|
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-
|
50
|
-
)
|
45
|
+
sequence_dir = self.hplc_controller.sequence_controller.data_files[-1].dir
|
46
|
+
child_dir = self.hplc_controller.sequence_controller.data_files[-1].child_dirs[0]
|
47
|
+
self.assertIsNotNone(sequence_dir)
|
48
|
+
self.assertIsNotNone(child_dir)
|
49
|
+
self.assertTrue(os.path.isdir(sequence_dir))
|
50
|
+
self.assertTrue(os.path.isdir(child_dir))
|
51
51
|
while not done:
|
52
52
|
time.sleep(time_left / 2)
|
53
53
|
time_left, done = self.hplc_controller.check_sequence_complete()
|
@@ -62,6 +62,18 @@ class TestSequence(unittest.TestCase):
|
|
62
62
|
def test_run_sequence_stall(self):
|
63
63
|
self.hplc_controller.preprun()
|
64
64
|
self.hplc_controller.run_sequence(stall_while_running=True)
|
65
|
+
time_left, done = self.hplc_controller.check_sequence_complete()
|
66
|
+
self.assertTrue(done)
|
67
|
+
self.assertTrue(time_left )
|
68
|
+
sequence_dir = self.hplc_controller.sequence_controller.data_files[-1].dir
|
69
|
+
child_dir = self.hplc_controller.sequence_controller.data_files[-1].child_dirs[0]
|
70
|
+
self.assertIsNotNone(sequence_dir)
|
71
|
+
self.assertIsNotNone(child_dir)
|
72
|
+
self.assertTrue(os.path.isdir(sequence_dir))
|
73
|
+
self.assertTrue(os.path.isdir(child_dir))
|
74
|
+
while not done:
|
75
|
+
time.sleep(time_left / 2)
|
76
|
+
time_left, done = self.hplc_controller.check_sequence_complete()
|
65
77
|
_ = self.hplc_controller.get_last_run_sequence_data()
|
66
78
|
uv = self.hplc_controller.get_last_run_sequence_data(read_uv=True)
|
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79
|
reports = self.hplc_controller.get_last_run_sequence_reports()
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