table-step

=================== SEAMM Table Plug-in

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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
• Code: https://github.com/molssi-seamm/table_step

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.

.. _custom: https://molssi-seamm.github.io/custom_step/index.html .. _loop: https://molssi-seamm.github.io/loop_step/index.html

Acknowledgements

This package was created with Cookiecutter_ and the molssi-seamm/cookiecutter-seamm-plugin_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter .. _molssi-seamm/cookiecutter-seamm-plugin: https://github.com/molssi-seamm/cookiecutter-seamm-plugin

Developed by the Molecular Sciences Software Institute (MolSSI_), which receives funding from the National Science Foundation_ under award OAC-1547580 and CHE-2136142.

.. _MolSSI: https://www.molssi.org .. _National Science Foundation: https://www.nsf.gov

======= 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.