unsigned int OEMDLGetValence(unsigned int atomicnum, int charge, unsigned int minvalence)
Returns the MDL valence for the given parameters.
The atomic number returned by the
The formal charge returned by the
The minimum valence.
OEMDLGetValence will return
in the case of the following input parameters:
formal charge: “+1”
minimum valence: three single bonds to heavy atoms (value returned by the
This means that the atom has correct valence only if it has either one implicit or one explicit hydrogen.