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virtual bool GetCoords(const OEAtomBase*, float*) const virtual bool GetCoords(const OEAtomBase*, double*) const
Fill the specified array of floating point values with the Cartesian co-ordinates of the specified atom. This array must be large enough to hold at least three values, corresponding to the X, Y and Z values for the given atom.
virtual bool GetCoords(float*) const virtual bool GetCoords(double*) const
Fill the specified array of floating point values with the Cartesian co-ordinates of all of the atoms in the molecule.
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