The SDL Component Suite is an industry leading collection of components supporting scientific and engineering computing. Please visit the SDL Web site for more information....



CalcMissingH


Unit:SDL_cstruct
Class:TCTab
Declaration:function CalcMissingH: integer;

The routine CalcMissingH calculates the number of hydrogen atoms for a given hydrogen-depleted structure. Any explicit hydrogen atoms of the structure are also included in the returned value.

Warning: This procedure may fail for exotic molecules !



Last Update: 2012-Oct-20