RDKit: Tautomer.h Source File

| 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
17 class RDKIT_STRUCTCHECKER_EXPORT StructCheckTautomer {
18 RWMol &Mol;
19 const StructCheckerOptions &Options;
20
21 public:
22 StructCheckTautomer(RWMol &mol, const StructCheckerOptions &options)
23 : Mol(mol), Options(options) {}
24 bool applyTautomer(unsigned it);
25};
26}; // namespace StructureCheck
27} // 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:545
RDKit::StructureCheck
Definition Pattern.h:16
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::StructureCheck::StructCheckerOptions
Definition StructChecker.h:121