/*
* $Id$
*
*  Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
*  All rights reserved.
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*       with the distribution.
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*       nor the names of its contributors may be used to endorse or promote
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%{
#include <GraphMol/Conformer.h>
#include <GraphMol/MolTransforms/MolTransforms.h>
#include <Geometry/point.h>
%}

// no point in wrapping something that can't be accessed
// getAtomPos() and setAtomPos() are convenient accessors
%ignore RDKit::Conformer::getPositions();
%ignore RDKit::Conformer::getPositions() const;

%typemap(javacode) RDKit::Conformer %{
  public void setSwigCMemOwn(boolean cMemoryOwn) {
    swigCMemOwn = cMemoryOwn;
  }
%}


%include <GraphMol/Conformer.h>

%extend RDKit::Conformer {
   /* From MolTransforms.h */

  RDGeom::Point3D computeCentroid(bool ignoreHs=true) {
	return MolTransforms::computeCentroid(*($self), ignoreHs);
  }

  RDGeom::Transform3D *computeCanonicalTransform(const RDGeom::Point3D *center=0,
                                                 bool normalizeCovar=false,
                                                 bool ignoreHs=true) {
	return MolTransforms::computeCanonicalTransform(*(self), center, normalizeCovar, ignoreHs);
  }

  void transformConformer(const RDGeom::Transform3D &trans) {
	MolTransforms::transformConformer(*($self), trans);
  }

  void canonicalizeConformer(const RDGeom::Point3D *center=0,
                             bool normalizeCovar=false, bool ignoreHs=true) {
	MolTransforms::canonicalizeConformer(*($self), center, normalizeCovar, ignoreHs);
  }

}
