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virtual bool GetCoords(float *coords) const = 0 virtual bool GetCoords(double *coords) const = 0
Fills the array passed into the function with a copy of the coordinates of
the conformer. The array passed in should be at least of length
OEConfBaseT::GetMaxAtomIdx()*dim. The coordinates of each atom in the
conformer will begin at coords[atom->GetIdx()*dim] in the array.
Changes made to the array after this function call will have no effect on
the conformer.
virtual bool GetCoords(const OEAtomBase *atom, float *coords) const = 0 virtual bool GetCoords(const OEAtomBase *atom, double *coords) const = 0
Fills the coords array with the coordinates of the OEAtomBase atom. The coords array should be at least of length dim. Changes made to the coord array after this function call will have no effect on the conformer.
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