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 #pragma once
11 #include <vector>
12 #include <stdexcept>
13 #include "../RDKitBase.h"
14 #include "Graph.h"
15 #include "MatchTable.h"
16 #include "DebugTrace.h" // algorithm filter definitions
17 
18 namespace RDKit {
19 namespace FMCS {
20 struct Target {
21  const ROMol* Molecule;
25 };
26 }
27 }
const ROMol * Molecule
Definition: Target.h:21
MatchTable AtomMatchTable
Definition: Target.h:23
ROMol is a molecule class that is intended to have a fixed topology.
Definition: ROMol.h:106
MatchTable BondMatchTable
Definition: Target.h:24
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29