/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h is in librdkit-dev 201503-3.
This file is owned by root:root, with mode 0o644.
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// Copyright (C) 2001-2008 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#ifndef _RD_SMILESPARSEOPS_H
#define _RD_SMILESPARSEOPS_H
#include <GraphMol/Bond.h>
namespace RDKit{
class RWMol;
class Atom;
}
namespace SmilesParseOps {
void ReportParseError(const char *message,bool throwIt=true);
void CleanupAfterParseError(RDKit::RWMol *mol);
void AddFragToMol(RDKit::RWMol *mol,RDKit::RWMol *frag,
RDKit::Bond::BondType bondOrder=RDKit::Bond::UNSPECIFIED,
RDKit::Bond::BondDir bondDir=RDKit::Bond::NONE,
bool closeRings=false,bool doingQuery=false);
RDKit::Bond::BondType GetUnspecifiedBondType(const RDKit::RWMol *mol,
const RDKit::Atom *atom1,
const RDKit::Atom *atom2);
void CloseMolRings(RDKit::RWMol *mol,bool toleratePartials);
void AdjustAtomChiralityFlags(RDKit::RWMol *mol);
void CleanupAfterParsing(RDKit::RWMol *mol);
};
#endif
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