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.
Files changed (247) hide show
  1. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/PKG-INFO +1 -1
  2. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/comm.py +2 -2
  3. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/method.py +1 -1
  4. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/sequence.py +5 -1
  5. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/sequence_types.py +5 -4
  6. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pyproject.toml +1 -1
  7. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/test_dirs.py +0 -1
  8. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/constants.py +3 -3
  9. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/run/test_run_sequence.py +18 -6
  10. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.gitignore +0 -0
  11. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.gitlab-ci.yml +0 -0
  12. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/.pre-commit-config.yaml +0 -0
  13. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/CHANGELOG.md +0 -0
  14. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/CONTRIBUTING.md +0 -0
  15. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/LICENSE +0 -0
  16. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/README.md +0 -0
  17. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/branch-rename.sh +0 -0
  18. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/index.html +0 -0
  19. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/base_spectrum.html +0 -0
  20. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/spec_utils.html +0 -0
  21. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis/utils.html +0 -0
  22. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/analysis.html +0 -0
  23. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control/chromatogram.html +0 -0
  24. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control/hplc.html +0 -0
  25. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/control.html +0 -0
  26. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/generated.html +0 -0
  27. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/chemstation.html +0 -0
  28. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/constants.html +0 -0
  29. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils/hplc_param_types.html +0 -0
  30. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation/utils.html +0 -0
  31. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/pychemstation.html +0 -0
  32. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/doc/search.js +0 -0
  33. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/out.txt +0 -0
  34. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/__init__.py +0 -0
  35. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/__init__.py +0 -0
  36. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/base_spectrum.py +0 -0
  37. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/chromatogram.py +0 -0
  38. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/analysis/process_report.py +0 -0
  39. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/README.md +0 -0
  40. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/__init__.py +0 -0
  41. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/README.md +0 -0
  42. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/__init__.py +0 -0
  43. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/data_aq/__init__.py +0 -0
  44. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/devices/__init__.py +0 -0
  45. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/controllers/devices/injector.py +0 -0
  46. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/control/hplc.py +0 -0
  47. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/__init__.py +0 -0
  48. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/dad_method.py +0 -0
  49. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/generated/pump_method.py +0 -0
  50. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/__init__.py +0 -0
  51. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/__init__.py +0 -0
  52. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/abc_comm.py +0 -0
  53. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/device.py +0 -0
  54. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/run.py +0 -0
  55. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/abc_tables/table.py +0 -0
  56. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/injector_types.py +0 -0
  57. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/macro.py +0 -0
  58. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/method_types.py +0 -0
  59. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/__init__.py +0 -0
  60. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/mock_comm.py +0 -0
  61. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/mocking/mock_hplc.py +0 -0
  62. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/num_utils.py +0 -0
  63. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/parsing.py +0 -0
  64. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/spec_utils.py +0 -0
  65. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/table_types.py +0 -0
  66. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation/utils/tray_types.py +0 -0
  67. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/PKG-INFO +0 -0
  68. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/SOURCES.txt +0 -0
  69. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/dependency_links.txt +0 -0
  70. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/requires.txt +0 -0
  71. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/pychemstation.egg-info/top_level.txt +0 -0
  72. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/__init__.py +0 -0
  73. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/cmd +0 -0
  74. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/out.txt +0 -0
  75. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/comm/test_hplc_comm.py +0 -0
  76. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/dtypes/test_abc.py +0 -0
  77. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/out.txt +0 -0
  78. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/test_edit_method.py +0 -0
  79. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/edit/test_edit_sequence.py +0 -0
  80. {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
  81. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/ACQRES.REG +0 -0
  82. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/CSlbk.ini +0 -0
  83. {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
  84. {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
  85. {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
  86. {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
  87. {pychemstation-0.10.7.dev1 → pychemstation-0.10.8.dev2}/tests/files/0_2025-03-15 19-14-35.D/DAD1.UV +0 -0
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  99. {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
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@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pychemstation
3
- Version: 0.10.7.dev1
3
+ Version: 0.10.8.dev2
4
4
  Summary: Library to interact with Chemstation software, primarily used in Hein lab
5
5
  Project-URL: Documentation, https://pychemstation-e5a086.gitlab.io/pychemstation.html
6
6
  Project-URL: Repository, https://gitlab.com/heingroup/device-api/pychemstation
@@ -173,5 +173,5 @@ class CommunicationController(ABCCommunicationController):
173
173
  data_dirs[i] = "C:" + data_dir
174
174
  return method_dir, sequence_dir, data_dirs
175
175
  raise ValueError(
176
- f"One of the method: {method_dir}, sequence: {sequence_dir} or data directories: {data_dirs} could not be found, please provide your own."
177
- )
176
+ f"One of the method: {method_dir}, sequence: {sequence_dir} or data directories: {data_dirs} could not be found, please provide your own."
177
+ )
@@ -445,7 +445,7 @@ class MethodController(RunController):
445
445
  i = 0
446
446
  while folder.is_err() and i < 10:
447
447
  folder = self._fuzzy_match_most_recent_folder(self.data_files[-1], None)
448
- i+=1
448
+ i += 1
449
449
  if folder.is_ok():
450
450
  self.data_files[-1] = folder.ok_value
451
451
  else:
@@ -338,8 +338,10 @@ class SequenceController(RunController):
338
338
  and set(most_recent_folder._data_files) == child_dirs
339
339
  ):
340
340
  most_recent_folder.child_dirs = [
341
- os.path.join(most_recent_folder.dir, f) for f in child_dirs
341
+ os.path.join(most_recent_folder.dir, f) if not os.path.isdir(f) else f for f in child_dirs
342
342
  ]
343
+ for d in most_recent_folder.child_dirs:
344
+ assert os.path.isdir(d)
343
345
  else:
344
346
  potential_folders: List[str] = sorted(
345
347
  list(
@@ -427,6 +429,8 @@ class SequenceController(RunController):
427
429
  ).ok_value
428
430
  )
429
431
  parent_dir = self.data_files[-1]
432
+ if len(parent_dir._data_files) != len(parent_dir.child_dirs) or len(parent_dir.child_dirs) == 0:
433
+ parent_dir = self._fuzzy_match_most_recent_folder(most_recent_folder=parent_dir, child_dirs=None)
430
434
  spectra = self.get_data()
431
435
  reports = []
432
436
  for i, child_dir in enumerate(parent_dir.child_dirs):
@@ -78,10 +78,11 @@ class SequenceTable:
78
78
  for self_row, other_row in zip(self.rows, other.rows):
79
79
  equal &= self_row.vial_location == other_row.vial_location
80
80
  equal &= self_row.data_file == other_row.data_file
81
- equal &= (
82
- os.path.split(os.path.normpath(self_row.method))[-1]
83
- == os.path.split(os.path.normpath(other_row.method))[-1]
84
- )
81
+ if self_row.method and other_row.method:
82
+ equal &= (
83
+ os.path.split(os.path.normpath(self_row.method))[-1]
84
+ == os.path.split(os.path.normpath(other_row.method))[-1]
85
+ )
85
86
  equal &= self_row.num_inj == other_row.num_inj
86
87
  equal &= self_row.inj_vol == other_row.inj_vol
87
88
  equal &= self_row.inj_source == other_row.inj_source
@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
4
4
 
5
5
  [project]
6
6
  name = "pychemstation"
7
- version = "0.10.7.dev1"
7
+ version = "0.10.8.dev2"
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"
@@ -28,6 +28,5 @@ class TestComm(unittest.TestCase):
28
28
  self.assertTrue(os.path.isdir(data_dir))
29
29
 
30
30
 
31
-
32
31
  if __name__ == "__main__":
33
32
  unittest.main()
@@ -101,9 +101,9 @@ def set_up_utils(
101
101
  comm_dir = room(num)
102
102
  if not offline:
103
103
  if not os.path.exists(comm_dir):
104
- raise FileNotFoundError(
105
- f"{comm_dir} does not exist on your system. If you would like to run tests, please change this path."
106
- )
104
+ raise FileNotFoundError(
105
+ f"{comm_dir} does not exist on your system. If you would like to run tests, please change this path."
106
+ )
107
107
 
108
108
  controller = HPLCController(
109
109
  offline=offline,
@@ -42,12 +42,12 @@ class TestSequence(unittest.TestCase):
42
42
  self.hplc_controller.preprun()
43
43
  self.hplc_controller.run_sequence(stall_while_running=False)
44
44
  time_left, done = self.hplc_controller.check_sequence_complete()
45
- self.assertIsNotNone(
46
- self.hplc_controller.sequence_controller.data_files[-1].dir
47
- )
48
- self.assertIsNotNone(
49
- self.hplc_controller.sequence_controller.data_files[-1].child_dirs[0]
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)
67
79
  reports = self.hplc_controller.get_last_run_sequence_reports()