SEAMM Table Plug-in
A SEAMM plug-in for data tables in a flowchart.
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/table_step/index.html
Features
Acknowledgements
This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award OAC-1547580 and CHE-2136142.
History
- 2026.9.30 – Bugfix: appending rows to tables with text columns failed with pandas 3
‘Append a row to’ failed with an error naming the column (e.g. ‘SMILES’) whenever the table had a text column, because pandas 3 describes text columns differently from pandas 2. A loop over SMILES strings that appended a row each time therefore added no rows. It now works with both pandas 2 and 3, and appending to a column that the table does not have gives a clear error listing the table’s columns.
The ‘Index column’, ‘Row’ and ‘Column’ dropdowns in the dialog offered single letters (‘c’, ‘u’, ‘r’, …) instead of ‘–none–’ or ‘current’. Fixed.
Internal: the tests now check the rows appended in a loop, and the CI installs the package with uv from its declared requirements rather than a conda environment.
- 2025.6.1 – Enhancement to allow paths with directories.
As in reading/writing structures, paths beginning with ‘/’ are relative to the root of the job, and relative paths are relative to the directory where the table step is invoked.
2023.11.10 – Bugfix: title of edit dialog was wrong
- 2023.10.30 – Cleaned up output
Nothing large, just made the output properly indented, etc.
- 2023.7.25 – Bug fix and Enhancements
Fixed bug with reading table using a variable for the filename, but asking for the type from the extension.
Add ability to save tables with a frequency of other than ever call.
- 2023.2.15 – Bugs fixes and documentation
Restructured documentation and moved to new theme
Fixed bug with access rows of tables with non-integer indexes as well as “current” index
Added support for lists of tables in pulldowns in the GUI
- 2021.12.22 – Improved the handling of index columns, added formats.
Improved the handling of the index column
Added Save as
Added Excel and JSON formats.
- 2021.10.14 – Updated for Python
Now supporting Python 3.8 and 3.9
2021.2.12 (12 February 2021)
Updated the README file to give a better description.
Updated the short description in setup.py to work with the new installer.
Added keywords for better searchability.
2020.12.5 (5 December 2020)
Internal: switching CI from TravisCI to GitHub Actions, and in the process moving documentation from ReadTheDocs to GitHub Pages where it is consolidated with the main SEAMM documentation.
Updated to be compatible with the new command-line argument handling.
0.9 (15 April 2020)
General bug fixing and code cleanup.
Part of release of all modules.
0.7.0 (17 December 2019)
General clean-up of code and output.
Part of release of all modules.
0.3.0 (20 August 2019)
First release on PyPI.
1 maintainer
Metadata
1 maintainer
Release files for table-step 2026.9.30
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| table_step-2026.9.30.tar.gz | 291.8 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| table_step-2026.9.30-py2.py3-none-any.whl | Python 2, Python 3 | none | any | Details |
Total release size: 306.9 kB
Release files / table_step-2026.9.30.tar.gz
| Download URL | table_step-2026.9.30.tar.gz |
|---|---|
| Size | 291.8 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/7.0.0 CPython/3.13.14
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Release files / table_step-2026.9.30-py2.py3-none-any.whl
| Download URL | table_step-2026.9.30-py2.py3-none-any.whl |
|---|---|
| Size | 15.1 kB |
| Tags | Python 2 Python 3 |
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SHA-256 checksum How to use checksums |
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twine/7.0.0 CPython/3.13.14
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