table-step 2023.11.10__tar.gz → 2025.6.1__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 (46) hide show
  1. {table_step-2023.11.10 → table_step-2025.6.1}/HISTORY.rst +5 -0
  2. {table_step-2023.11.10 → table_step-2025.6.1}/PKG-INFO +19 -2
  3. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/_version.py +3 -3
  4. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/table.py +13 -6
  5. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/table_parameters.py +1 -2
  6. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/PKG-INFO +20 -3
  7. {table_step-2023.11.10 → table_step-2025.6.1}/tests/test_flowcharts.py +2 -2
  8. {table_step-2023.11.10 → table_step-2025.6.1}/AUTHORS.rst +0 -0
  9. {table_step-2023.11.10 → table_step-2025.6.1}/CONTRIBUTING.rst +0 -0
  10. {table_step-2023.11.10 → table_step-2025.6.1}/LICENSE +0 -0
  11. {table_step-2023.11.10 → table_step-2025.6.1}/MANIFEST.in +0 -0
  12. {table_step-2023.11.10 → table_step-2025.6.1}/README.rst +0 -0
  13. {table_step-2023.11.10 → table_step-2025.6.1}/docs/Makefile +0 -0
  14. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/SEAMM inverted.png +0 -0
  15. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/SEAMM logo.png +0 -0
  16. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/molssi_main_logo.png +0 -0
  17. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/molssi_main_logo_inverted_white.png +0 -0
  18. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/molssi_square.png +0 -0
  19. {table_step-2023.11.10 → table_step-2025.6.1}/docs/_static/nsf.png +0 -0
  20. {table_step-2023.11.10 → table_step-2025.6.1}/docs/api/index.rst +0 -0
  21. {table_step-2023.11.10 → table_step-2025.6.1}/docs/authors.rst +0 -0
  22. {table_step-2023.11.10 → table_step-2025.6.1}/docs/conf.py +0 -0
  23. {table_step-2023.11.10 → table_step-2025.6.1}/docs/developer_guide/contributing.rst +0 -0
  24. {table_step-2023.11.10 → table_step-2025.6.1}/docs/developer_guide/index.rst +0 -0
  25. {table_step-2023.11.10 → table_step-2025.6.1}/docs/developer_guide/installation.rst +0 -0
  26. {table_step-2023.11.10 → table_step-2025.6.1}/docs/developer_guide/usage.rst +0 -0
  27. {table_step-2023.11.10 → table_step-2025.6.1}/docs/getting_started/index.rst +0 -0
  28. {table_step-2023.11.10 → table_step-2025.6.1}/docs/history.rst +0 -0
  29. {table_step-2023.11.10 → table_step-2025.6.1}/docs/index.rst +0 -0
  30. {table_step-2023.11.10 → table_step-2025.6.1}/docs/make.bat +0 -0
  31. {table_step-2023.11.10 → table_step-2025.6.1}/docs/user_guide/index.rst +0 -0
  32. {table_step-2023.11.10 → table_step-2025.6.1}/setup.cfg +0 -0
  33. {table_step-2023.11.10 → table_step-2025.6.1}/setup.py +0 -0
  34. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/__init__.py +0 -0
  35. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/table_step.py +0 -0
  36. {table_step-2023.11.10 → table_step-2025.6.1}/table_step/tk_table.py +0 -0
  37. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/SOURCES.txt +0 -0
  38. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/dependency_links.txt +0 -0
  39. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/entry_points.txt +0 -0
  40. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/requires.txt +0 -0
  41. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/top_level.txt +0 -0
  42. {table_step-2023.11.10 → table_step-2025.6.1}/table_step.egg-info/zip-safe +0 -0
  43. {table_step-2023.11.10 → table_step-2025.6.1}/tests/__init__.py +0 -0
  44. {table_step-2023.11.10 → table_step-2025.6.1}/tests/conftest.py +0 -0
  45. {table_step-2023.11.10 → table_step-2025.6.1}/tests/flowcharts/test1.flow +0 -0
  46. {table_step-2023.11.10 → table_step-2025.6.1}/tests/test_table_step.py +0 -0
@@ -1,6 +1,11 @@
1
1
  =======
2
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  History
3
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  =======
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+ 2025.6.1 -- Enhancement to allow paths with directories.
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+ * As in reading/writing structures, paths beginning with '/' are relative to the
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+ root of the job, and relative paths are relative to the directory where the table
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+ step is invoked.
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+
4
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  2023.11.10 -- Bugfix: title of edit dialog was wrong
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10
 
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  2023.10.30 -- Cleaned up output
@@ -1,6 +1,6 @@
1
- Metadata-Version: 2.1
1
+ Metadata-Version: 2.4
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  Name: table_step
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- Version: 2023.11.10
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+ Version: 2025.6.1
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  Summary: A SEAMM plug-in for data tables in a flowchart.
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  Home-page: https://github.com/molssi-seamm/table_step
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  Author: Paul Saxe
@@ -28,6 +28,18 @@ Requires-Dist: openpyxl
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  Requires-Dist: pandas
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  Requires-Dist: seamm
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  Requires-Dist: tabulate
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+ Dynamic: author
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+ Dynamic: author-email
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+ Dynamic: classifier
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+ Dynamic: description
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+ Dynamic: description-content-type
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+ Dynamic: home-page
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+ Dynamic: keywords
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+ Dynamic: license
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+ Dynamic: license-file
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+ Dynamic: platform
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+ Dynamic: requires-dist
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+ Dynamic: summary
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  ===================
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  SEAMM Table Plug-in
@@ -95,6 +107,11 @@ award OAC-1547580 and CHE-2136142.
95
107
  =======
96
108
  History
97
109
  =======
110
+ 2025.6.1 -- Enhancement to allow paths with directories.
111
+ * As in reading/writing structures, paths beginning with '/' are relative to the
112
+ root of the job, and relative paths are relative to the directory where the table
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+ step is invoked.
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+
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  2023.11.10 -- Bugfix: title of edit dialog was wrong
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116
 
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  2023.10.30 -- Cleaned up output
@@ -8,11 +8,11 @@ import json
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  version_json = '''
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  {
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- "date": "2023-11-10T05:59:18-0500",
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+ "date": "2025-06-01T13:14:03-0400",
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  "dirty": false,
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  "error": null,
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- "full-revisionid": "1cf185c4d06adec4149004f1993933d768a2beac",
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- "version": "2023.11.10"
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+ "full-revisionid": "d680570162e73b58623be1fffda786746e73f75e",
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+ "version": "2025.6.1"
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  }
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  ''' # END VERSION_JSON
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@@ -3,8 +3,7 @@
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  """Non-graphical part of the Table step in SEAMM"""
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  import logging
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- import os.path
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- from pathlib import PurePath
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+ from pathlib import Path, PurePath
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  import numpy as np
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  import pandas
@@ -208,6 +207,9 @@ class Table(seamm.Node):
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  )
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  tablename = P["table name"]
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+ # Pathnames are relative to current working directory
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+ wd = Path(self.directory).parent
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+
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  # Print out header to the main output
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  printer.important(self.description_text(P))
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  printer.important("")
@@ -330,16 +332,21 @@ class Table(seamm.Node):
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  file_type = P["file type"]
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  table_handle = self.get_variable(tablename)
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  table = table_handle["table"]
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+
333
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  if P["method"] == "Save as":
334
- filename = P["filename"]
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+ filename = P["filename"].strip()
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+ if filename.startswith("/"):
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+ filename = str(
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+ Path(self.flowchart.root_directory) / filename[1:]
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+ )
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+ else:
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+ filename = str(wd / filename)
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  table_handle["filename"] = filename
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  else:
337
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  if "filename" not in table_handle:
338
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  if file_type == "from extension":
339
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  file_type = ".csv"
340
- table_handle["filename"] = os.path.join(
341
- self.flowchart.root_directory, tablename + file_type
342
- )
349
+ table_handle["filename"] = str(wd / tablename) + file_type
343
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  filename = table_handle["filename"]
344
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345
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  index = table_handle["index column"]
@@ -1,6 +1,5 @@
1
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  # -*- coding: utf-8 -*-
2
- """Control parameters for loops
3
- """
2
+ """Control parameters for tables"""
4
3
 
5
4
  import logging
6
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  import seamm
@@ -1,6 +1,6 @@
1
- Metadata-Version: 2.1
2
- Name: table-step
3
- Version: 2023.11.10
1
+ Metadata-Version: 2.4
2
+ Name: table_step
3
+ Version: 2025.6.1
4
4
  Summary: A SEAMM plug-in for data tables in a flowchart.
5
5
  Home-page: https://github.com/molssi-seamm/table_step
6
6
  Author: Paul Saxe
@@ -28,6 +28,18 @@ Requires-Dist: openpyxl
28
28
  Requires-Dist: pandas
29
29
  Requires-Dist: seamm
30
30
  Requires-Dist: tabulate
31
+ Dynamic: author
32
+ Dynamic: author-email
33
+ Dynamic: classifier
34
+ Dynamic: description
35
+ Dynamic: description-content-type
36
+ Dynamic: home-page
37
+ Dynamic: keywords
38
+ Dynamic: license
39
+ Dynamic: license-file
40
+ Dynamic: platform
41
+ Dynamic: requires-dist
42
+ Dynamic: summary
31
43
 
32
44
  ===================
33
45
  SEAMM Table Plug-in
@@ -95,6 +107,11 @@ award OAC-1547580 and CHE-2136142.
95
107
  =======
96
108
  History
97
109
  =======
110
+ 2025.6.1 -- Enhancement to allow paths with directories.
111
+ * As in reading/writing structures, paths beginning with '/' are relative to the
112
+ root of the job, and relative paths are relative to the directory where the table
113
+ step is invoked.
114
+
98
115
  2023.11.10 -- Bugfix: title of edit dialog was wrong
99
116
 
100
117
  2023.10.30 -- Cleaned up output
@@ -4,7 +4,7 @@
4
4
  """Tests for `table_step` running full flowcharts."""
5
5
  from pathlib import Path
6
6
  import pytest
7
- from seamm import run_flowchart
7
+ from seamm_exec import run
8
8
 
9
9
  test_dir = Path(__file__).resolve().parent
10
10
 
@@ -25,4 +25,4 @@ def test_flowchart(monkeypatch, tmp_path, flowchart):
25
25
  ],
26
26
  )
27
27
 
28
- run_flowchart(wdir=str(tmp_path))
28
+ run(wdir=str(tmp_path))
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