https://github.com/bobleesj/bobleesj.utils - 0.0.5

Added:

• Implement parsing custom labels from Excel for binary, ternary, and ternary, as it is used both in SAF and CAF.
• Ensure no elements are assigned to multiple labels for custom label sort.
• Add instructions how to use ElementSorter, Mendeleev number.
• Configure a single news title that sets the news item, commit message, and PR title.
• Add ElementSorder class to sort elements based on custom order.
• Sort by Mendeleeve and alphabetical order of elements in Element Sorter.
• Add bob create gif -p to generate .gif easily.

Fixed:

• Replace Elements to ElementSorter to better match between the class and the file name.

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 0.0.5-rc.0

What's Changed

• feat: support bob create gif -p <movie-path-name> to generate GIF from a movie file by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/82
• docs: add api-doc with package build auto-api by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/83
• Configure a single news title that sets the news item, commit message, and PR title. by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/95
• Implement parsing custom labels from Excel for binary, ternary, and ternary, as it is used both in SAF and CAF. by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/99
• Add ElementSorter class to sort elements based on custom order. by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/101
• Sort by Mendeleeve and alphabetical order of elements in Element Sorter. by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/105
• Add docstring to ElementSorter so that Danila can use it within SAF-app by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/109
• Rename to ElementSorter, add documentations for ElementSorter, folder.py, Mendeleev, prevent duplicate usage of elements in custom sort by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/115

Full Changelog: https://github.com/bobleesj/bobleesj.utils/compare/0.0.4...0.0.5-rc.0

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 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 CLI tutorials in the documentation.
• Implement bob delete local-branches to delete all branches except main.
• Add mendeleeve numbers under the sources module.

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 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.

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 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.

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 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.

- Python
Published by github-actions[bot] about 1 year ago

https://github.com/bobleesj/bobleesj.utils - 0.0.1-rc.2

What's Changed

• feat: implement filtering, counting of formulas in Formula class using static methods by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/12
• feat: add docstrings for Formula class by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/20
• docs: add docstrings to Oliynyk and Property class by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/21
• docs: add getting started guide for Formula and Oliynyk classes by @bobleesj in https://github.com/bobleesj/bobleesj.utils/pull/27

New Contributors

• @bobleesj made their first contribution in https://github.com/bobleesj/bobleesj.utils/pull/12

Full Changelog: https://github.com/bobleesj/bobleesj.utils/commits/0.0.1-rc.2

- Python
Published by github-actions[bot] about 1 year ago