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45 lines
1.3 KiB
C++
Executable File
45 lines
1.3 KiB
C++
Executable File
//
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// Copyright (C) 2002-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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//
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/*! \file RDKitBase.h
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\brief pulls in the core \c RDKit functionality
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*/
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#ifndef _RDKIT_BASE_H
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#define _RDKIT_BASE_H
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#include <RDGeneral/Invariant.h>
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#include <GraphMol/Atom.h>
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#include <GraphMol/Bond.h>
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#include <GraphMol/Conformer.h>
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#include <GraphMol/GraphMol.h>
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#include <GraphMol/MolOps.h>
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#include <GraphMol/RingInfo.h>
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#include <GraphMol/AtomIterators.h>
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#include <GraphMol/BondIterators.h>
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#include <GraphMol/PeriodicTable.h>
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#include <GraphMol/MolPickler.h>
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#include <GraphMol/SanitException.h>
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#if 0
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namespace RDKit{
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template class AtomIterator_<Atom,ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::type>;
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template class AtomIterator_<const Atom,const ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::const_type>;
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template class AromaticAtomIterator_<Atom,ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::type>;
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template class AromaticAtomIterator_<const Atom,const ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::const_type>;
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template class HeteroatomIterator_<Atom,ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::type>;
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template class HeteroatomIterator_<const Atom,const ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::const_type>;
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template class QueryAtomIterator_<Atom,ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::type>;
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template class QueryAtomIterator_<const Atom,const ROMol,ROMol::GRAPH_MOL_ATOM_PMAP::const_type>;
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};
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#endif
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#endif
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