Open susilehtola opened 2 years ago
Tentative port of IQmol to OpenBabel 3 branch. Fixes #54
The port consists mostly of adding missing includes, and porting the handling of elements https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html
The only problem is that since the implicit valence functions appear to have been removed, a few lines in MoleculeLayer need attention. @nutjunkie
Tentative port of IQmol to OpenBabel 3 branch. Fixes #54
The port consists mostly of adding missing includes, and porting the handling of elements https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html
The only problem is that since the implicit valence functions appear to have been removed, a few lines in MoleculeLayer need attention. @nutjunkie