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Home ChemPack CStruct Class TCTab Methods SumForContained
See also: MatchAtomTemplate, CompareWith 

SumForContained

Unit:SDL_cstruct
Class:TCTab
Declaration:function SumForContained (CTabSmall: TCTab): boolean;

The function SumForContained checks if the molecular formula of the structure CTabSmall is contained in the molecular formula of the structure in self. The comparison is based solely on the atomic numbers of the atoms (all isotopes of an element are processed equally).

Note, that this method is restricted to structures which do not contain more than 30 different kinds of atoms (which should be sufficient in most cases). For structures with more than 30 different kinds of atoms the result may be invalid.

Last Update: 2023-Dec-13