Releases: stuchalk/pyComChem
Version 0.3
Clean up, rework of examples using functions, removal of bs4, other minor edits
Version 0.2.2
Version 0.2.1
Update for problems with pypi release action.
- fixed correct server
- updated to v4 of setup-python action
Version 0.2
First public release with basic functionality to get data from the CommonChemistry API.
release alpha6
Converted interpreter to pipenv. Add selection variable to example.py file.
Updated the GitHub action to test on PyPi (with two additional config fix).
Release alpha5
Converted interpreter to pipenv. Add selection variable to example.py file.
Updated the GitHub action to test on PyPi (with additional config fix).
Release alpha4
Converted interpreter to pipenv. Add selection variable to example.py file.
Updated the GitHub action to test on PyPi (with config fix).
Release alpha3
Converted interpreter to pipenv. Add selection variable to example.py file.
Updated the GitHub action to test on PyPi (with config fix).
Release alpha2
Improved functions and added validation
- added documentation to methods
- added chemimg method
- added cas validation with check digit verification
- added inchikey validation
- improved query to check for '*' and added exact option
- improved key2cas to get casrn of smallest molecule (assuming other hits are polymers)
TestPyPI Package Testing
Fingers crossed...