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Home ChemPack CStruct Class TCTab Methods NrHAtoms
See also: CalcMissingH, CalcChemMolweight, RemoveHydrogen 

NrHAtoms

Unit:SDL_cstruct
Class: TCTab
Declaration: function NrHAtoms (AtIx: integer): integer;

The function NrHAtoms returns the number of hydrogen atoms of the atom with the index AtIx. The hydrogen atoms are calculated from the valence, the state of hybridization and the charge of the atom. Any explicit neighboring hydrogen atoms are also included in the returned count.

Warning: This procedure may fail for exotic molecules !

Last Update: 2023-Dec-13