It would be nice if users had the option to store some data with the instances of MolpherMol and MolpherAtom (like it is possible in RDKit or other libraries). It could work like so:
mol = MolpherMol("CCO")
mol.setProp("Name", "ethanol")
for idx, atom in enumerate(mol.atoms):
atom.setProp("AtomID", mol.getProp("Name") + "." + str(idx))
It would be nice if users had the option to store some data with the instances of
MolpherMolandMolpherAtom(like it is possible in RDKit or other libraries). It could work like so: