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
RDKit::StructureCheck::StructCheckerOptions
Structure Check Options.
Definition: StructChecker.h:121
RDKit::RWMol
RWMol is a molecule class that is intended to be edited.
Definition: RWMol.h:31
StructChecker.h
Contains the public API of the StructChecker.
RDKit::StructureCheck::StructCheckTautomer::StructCheckTautomer
StructCheckTautomer(RWMol &mol, const StructCheckerOptions &options)
Definition: StructChecker/Tautomer.h:22
RDKit
Std stuff.
Definition: Atom.h:30
RDKit::StructureCheck::StructCheckTautomer
Definition: StructChecker/Tautomer.h:17
RDKIT_STRUCTCHECKER_EXPORT
#define RDKIT_STRUCTCHECKER_EXPORT
Definition: export.h:645
export.h