/usr/include/openbabel-2.0/openbabel/pointgroup.h is in libopenbabel-dev 2.3.2+dfsg-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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pointgroup.h - Brute force point group symmetry detection
Copyright (C) 1996, 2003 S. Patchkovskii, Serguei.Patchkovskii@sympatico.ca
Some portions Copyright (C) 2007 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>
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_POINTGROUP_H
#define OB_POINTGROUP_H
#include <openbabel/babelconfig.h>
#include <string>
#include <openbabel/mol.h>
namespace OpenBabel
{
class PointGroupPrivate;
/** \class OBPointGroup pointgroup.h <openbabel/pointgroup.h>
\brief Brute-force point group symmetry perception
\since version 2.2
This class performs brute-force point group symmetry perception
to yield symmetry identifiers. In the future, this should provide
optimized symmetry-derived coordinates as well.
*/
class OBAPI OBPointGroup
{
public:
OBPointGroup();
~OBPointGroup();
//! Set the point group detection for this molecule
void Setup(OBMol *);
//! \return the 3D point group symbol for this molecule
const char *IdentifyPointGroup();
protected:
PointGroupPrivate *d;
}; // class OBPointGroup
}// namespace OpenBabel
#endif // OB_POINT_GROUP_H
//! \file pointgroup.h
//! \brief Brute-force point group detection
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