RDKit: Target.h Source File

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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;
22 Graph Topology;
23 MatchTable AtomMatchTable;
24 MatchTable BondMatchTable;
25 };
26 }
27 }
RDKit::FMCS::Target::Molecule
const ROMol * Molecule
Definition: Target.h:21
RDKit::FMCS::TArray2D< bool >
RDKit::FMCS::Target::AtomMatchTable
MatchTable AtomMatchTable
Definition: Target.h:23
RDKit::ROMol
ROMol is a molecule class that is intended to have a fixed topology.
Definition: ROMol.h:103
DebugTrace.h
RDKit::FMCS::Target::BondMatchTable
MatchTable BondMatchTable
Definition: Target.h:24
RDKit::FMCS::Graph
Definition: Graph.h:22
RDKit::FMCS::Target::Topology
Graph Topology
Definition: Target.h:22
RDKit
Std stuff.
Definition: Atom.h:29
RDKit::FMCS::Target
Definition: Target.h:20
Graph.h
MatchTable.h