Closed connorcoley closed 5 years ago
When reactants were missing bonds and molecules were re-stitched via a RWMol, using atoms_p to calculate atoms_diff would refer to atom objects that no longer exist
atoms_p
atoms_diff
When reactants were missing bonds and molecules were re-stitched via a RWMol, using
atoms_pto calculateatoms_diffwould refer to atom objects that no longer exist