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StructChecker/Tautomer.h
Go to the documentation of this file.
//
// 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);
};
}; // namespace StructureCheck
} // namespace RDKit
StructChecker.h
Contains the public API of the StructChecker.
RDKit::RWMol
RWMol is a molecule class that is intended to be edited.
Definition RWMol.h:32
RDKit::StructureCheck::StructCheckTautomer::applyTautomer
bool applyTautomer(unsigned it)
RDKit::StructureCheck::StructCheckTautomer::StructCheckTautomer
StructCheckTautomer(RWMol &mol, const StructCheckerOptions &options)
Definition StructChecker/Tautomer.h:22
export.h
RDKIT_STRUCTCHECKER_EXPORT
#define RDKIT_STRUCTCHECKER_EXPORT
Definition export.h:553
RDKit::StructureCheck
Definition Pattern.h:16
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::StructureCheck::StructCheckerOptions
Definition StructChecker.h:121