RDKit
Open-source cheminformatics and machine learning.
MolCatalog.h
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//
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// Copyright (C) 2006 Greg Landrum
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//
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//
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#include <
RDGeneral/export.h
>
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#ifndef _RD_MOL_CATALOG_H_
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#define _RD_MOL_CATALOG_H_
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#include <
Catalogs/Catalog.h
>
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#include <
GraphMol/MolCatalog/MolCatalogEntry.h
>
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#include <
GraphMol/MolCatalog/MolCatalogParams.h
>
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namespace
RDKit
{
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//! a hierarchical catalog for holding molecules
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typedef
RDCatalog::HierarchCatalog<MolCatalogEntry, MolCatalogParams, int>
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MolCatalog
;
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}
// namespace RDKit
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#endif
RDKit::MolCatalog
RDCatalog::HierarchCatalog< MolCatalogEntry, MolCatalogParams, int > MolCatalog
a hierarchical catalog for holding molecules
Definition:
MolCatalog.h:17
MolCatalogEntry.h
MolCatalogParams.h
RDCatalog::HierarchCatalog
A Catalog with a hierarchical structure.
Definition:
Catalog.h:135
Catalog.h
RDKit
Std stuff.
Definition:
Atom.h:30
export.h
GraphMol
MolCatalog
MolCatalog.h
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