RDKit
Open-source cheminformatics and machine learning.
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StructChecker/Tautomer.h
Go to the documentation of this file.
1//
2// Copyright (C) 2016 Novartis Institutes for BioMedical Research
3//
4// @@ All Rights Reserved @@
5// This file is part of the RDKit.
6// The contents are covered by the terms of the BSD license
7// which is included in the file license.txt, found at the root
8// of the RDKit source tree.
9//
10#include <RDGeneral/export.h>
11#pragma once
12#include "StructChecker.h"
13
14namespace RDKit {
15namespace StructureCheck {
16
18 RWMol &Mol;
19 const StructCheckerOptions &Options;
20
21 public:
23 : Mol(mol), Options(options) {}
24 bool applyTautomer(unsigned it);
25};
26}; // namespace StructureCheck
27} // namespace RDKit
Contains the public API of the StructChecker.
RWMol is a molecule class that is intended to be edited.
Definition RWMol.h:32
StructCheckTautomer(RWMol &mol, const StructCheckerOptions &options)
#define RDKIT_STRUCTCHECKER_EXPORT
Definition export.h:505
Std stuff.