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A SEAMM plug-in for data tables in a flowchart.

Project description

SEAMM Table Plug-in

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A SEAMM plug-in for data tables in a flowchart.

Features

  • Creation of datatables with named, typed columns.

  • Reading and writing data to the table.

  • Printing and saving to CSV files.

  • Accessible in custom scripts.

  • Can loop over the rows in a flowchart.

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

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.

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