OEMDLGetValenceΒΆ

unsigned int OEMDLGetValence(unsigned int atomicnum, int charge, unsigned int minvalence)

Returns the MDL valence for the given parameters.

elemno
The atomic number returned by the OEAtomBase::GetAtomicNum method.
charge
The formal charge returned by the OEAtomBase::GetFormalCharge method.
minvalence
The minimum valence.

For example, OEMDLGetValence will return 4 in the case of the following input parameters:

This means that the atom has correct valence only if it has either one implicit or one explicit hydrogen.

See also