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kekulize.h
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/**********************************************************************
Copyright (C) 2017 Noel M. O'Boyle
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_KEKULIZE_H
#define OB_KEKULIZE_H
namespace OpenBabel
{
OBAPI bool OBKekulize(OBMol *mol);
}
#endif //OB_KEKULIZE_H
OpenBabel::OBMol
Molecule Class.
Definition mol.h:121
OpenBabel
Global namespace for all Open Babel code.
Definition alias.h:23
OpenBabel::OBKekulize
bool OBKekulize(OBMol *mol)
Kekulize a molecule by assigning bond orders of 1 or 2 to aromatic bonds.
Definition kekulize.cpp:412