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