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 runningtwine 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 initializedImplement
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.