Releases: IvanChernyshov/NistChemPy
Releases · IvanChernyshov/NistChemPy
1.0.2
- Adds c.a. 10 000 of missing InChI strings to the pre-saved data on compounds (
nistchempy.compound_list.get_all_data
). - Fixes bug in update resulted in c.a. 10 000 of missing InChI strings.
- Fixes chemical formula parser.
- Adds reference to repo containing data extracted from NIST Chemistry WebBook (NistChemData).
1.0.1
Fixes several bugs:
-
error why saving spectra via the
nistchepy.compound.NistCompound.save_spectra
method; -
removes unintended spaces in chemical formula.
1.0.0
The first stable release.