Release notes

0.0.4

0.0.4

Added:

  • Implement functions to retrieve files with the specified file type and whether the folder contains the file extension.

  • Add whether a list of elements are available for CIF/Pauling Radius.

  • Implement bob create issues to generate issues across many repositories.

  • Add bob <verb> <noun> CLI tutorials in the documentation.

  • Implement bob delete local-branches to delete all branches except main.

  • Add mendeleeve numbers under the sources module.

0.0.3

Added:

  • Implement bob test release so that the package check whether it can be released to PyPI after running twine check dist/*.

  • Implement bob test package to create a new environment to test the package fully.

  • Support a total of 76 elements in the Oliynyk database with N, O, F, Cl, Br, I added.

  • Implement bob update feedstock to prepare a PR to conda-forge feedstock with SHA256 and version updated from PyPI.

  • Streamline news file creation process with bob add news -flag -m <news-message> entry point.

0.0.2

Added:

  • Add installation guide in the documentation.

  • Check whether the elements from the formula is in the periodic table when Formula is initialized

  • Implement Element.all_symbols() to return all 118 elements symbols from the periodic table.

  • Implement radius.py module to get CIF and Pauling CN radius data for elements.

  • Implement Elements enum for retrieving the name of the element given the symbol.

  • Implement sorting of a formula by property, by index, and by defined custom labels.

  • Implement parsing atomic mass, atomic number, element symbol and name with ptable.py.

0.0.1

Added:

  • Create a new package with scikit-package.

  • Implement Oliynyk database class for extracting data.

  • Implement Formula class for parsing and working with chemical formula.

  • Implement counting formulas to the Formula class.

  • Add docstrings to Oliynyk, Property, Formula classes.

  • Add filter by composition, elements (containing/matching) in the Formula class.

  • Add Jupyter Notebook support in the documentation.