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Home ChemPack CStruct Class TCTab Methods FindAtomInBox
See also: FindClosestAtom 

FindAtomInBox

Unit:SDL_cstruct
Class:TCTab
Declaration:function FindAtomInBox (x, y, z, xRange, yRange, zRange: double): integer;

The method FindAtomInBox searches for atoms within a 3-dimensional box. The box is set up by the center x y  and the dimension of the box ( xRange, yRange, zRange ). The function returns the index of the atom which is within the box. If there is more than one atom in the box, the atom with the highest index is returned. If the box contains no atom at all, a value of -1 is returned.

 

Last Update: 2023-Dec-13