RDKit
Open-source cheminformatics and machine learning.
Target.h
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1 //
2 // Copyright (C) 2014 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 <vector>
13 #include <stdexcept>
14 #include "../RDKitBase.h"
15 #include "Graph.h"
16 #include "MatchTable.h"
17 #include "DebugTrace.h" // algorithm filter definitions
18 
19 namespace RDKit {
20 namespace FMCS {
21 struct Target {
22  const ROMol* Molecule;
26 };
27 }
28 }
const ROMol * Molecule
Definition: Target.h:22
MatchTable AtomMatchTable
Definition: Target.h:24
MatchTable BondMatchTable
Definition: Target.h:25
Std stuff.
Definition: Atom.h:30