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virtual bool SetCoords(const float*) = 0 virtual bool SetCoords(const double*) = 0
Sets the coordinates of a conformer. The coords parameter is expected to
be an array of size OEConfBase::GetMaxAtomIdx()*dim. This array should
contain N=dim coordinates for each atom, and they should be located in the
array passed in at coords[atom->GetIdx()*dim+i], where i ranges from
0 to dim. An internal copy of the coordinates is stored in the OEConfBaseT
which is independent of the array passed.
virtual bool SetCoords(const OEAtomBase* atom, const float *coords) = 0 virtual bool SetCoords(const OEAtomBase* atom, const double *coords) = 0
Sets to coordinates of a single atom in the OEConfBaseT. The array passed in should be of length dim and should contain the new coordinates of the atom. An internal copy of the coordinates is stored in the OEConfBaseT which is independent of the coords array.
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