Files
rdkit/Code/GraphMol/StructChecker/Tautomer.h
Greg Landrum 2738c35178 Fixes #1903 (#1971)
* Fixes #1903

* update SWIG bindings too
2018-07-25 09:14:17 +02:00

28 lines
686 B
C++

//
// Copyright (C) 2016 Novartis Institutes for BioMedical Research
//
// @@ 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.
//
#include <RDGeneral/export.h>
#pragma once
#include "StructChecker.h"
namespace RDKit {
namespace StructureCheck {
class RDKIT_STRUCTCHECKER_EXPORT StructCheckTautomer {
RWMol &Mol;
const StructCheckerOptions &Options;
public:
StructCheckTautomer(RWMol &mol, const StructCheckerOptions &options)
: Mol(mol), Options(options) {}
bool applyTautomer(unsigned it);
};
};
}