OEAssignSerialNumbersΒΆ
void OEAssignSerialNumbers(OEMolBase &mol)
The function assigns sequential atom serial numbers to the atoms of a
molecule, as currently ordered in the OEMolBase
.
The atom serial number is stored in OEResidue
that is
associated with each OEAtomBase
via the
OEProperty_Residue
property.
See also