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table-step

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

2025.6.1
PyPI
Maintainers
1

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

.. image:: https://img.shields.io/github/issues-pr-raw/molssi-seamm/table_step :target: https://github.com/molssi-seamm/table_step/pulls :alt: GitHub pull requests

.. image:: https://github.com/molssi-seamm/table_step/workflows/CI/badge.svg :target: https://github.com/molssi-seamm/table_step/actions :alt: Build Status

.. image:: https://codecov.io/gh/molssi-seamm/table_step/branch/master/graph/badge.svg :target: https://codecov.io/gh/molssi-seamm/table_step :alt: Code Coverage

.. image:: https://github.com/molssi-seamm/table_step/workflows/CodeQL/badge.svg :target: https://github.com/molssi-seamm/table_step/security/code-scanning :alt: Code Quality

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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.

.. _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.

Keywords

SEAMM

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