/**********************************************************************
Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (c) 2001-2002 by Geoffrey R. Hutchison

This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>

This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
***********************************************************************/

#ifndef OB_CHIRAL_H
#define OB_CHIRAL_H

#include "matrix.h"

namespace OpenBabel {

void GraphPotentials(OBMol &mol, std::vector<float> &pot);
void construct_g_matrix(OBMol &mol, std::vector<std::vector<float> > &m);
void construct_c_matrix(OBMol &mol, std::vector<std::vector<float > > &m);
float CalcSignedVolume(OBMol &mol,OBAtom*);
float signed_volume(const vector3 &a, const vector3 &b, const vector3 &c, const vector3 &d);
void GetChirality(OBMol &mol, std::vector<int> &chirality);

}

#endif // OB_CHIRAL_H
