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//
// Copyright (C) 2014 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 <limits>
#include <vector>
#include "FMCS.h"
#include "Graph.h"
#include "MatchTable.h"
namespace RDKit {
namespace FMCS {
typedef std::vector<
std::pair<FMCS::Graph::vertex_descriptor, FMCS::Graph::vertex_descriptor>>
match_V_t;
const unsigned int NotSet = std::numeric_limits<unsigned int>::max();
RDKIT_FMCS_EXPORT bool SubstructMatchCustomTable(
const FMCS::Graph &target, const ROMol &target_mol,
const FMCS::Graph &query,
const ROMol &querySrc // seed and full source query molecules
,
const MatchTable &atomMatchTable, const MatchTable &bondMatchTable,
const MCSParameters *parameters = nullptr // for final checker (CHIRALITY)
,
match_V_t *match = nullptr);
RDKIT_FMCS_EXPORT bool SubstructMatchCustom(
const FMCS::Graph &target, const ROMol &mol, const FMCS::Graph &query,
const ROMol &querySrc // seed and full source query molecules
,
MCSAtomCompareFunction atomCompare, MCSBondCompareFunction bondCompare,
MCSFinalMatchCheckFunction finalCompare,
const MCSAtomCompareParameters &acp, const MCSBondCompareParameters &bcp,
void *user_data, match_V_t *match = nullptr);
} // namespace FMCS
} // namespace RDKit
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