RDKit
Open-source cheminformatics and machine learning.
MolCatalog.h
Go to the documentation of this file.
1
//
2
// Copyright (C) 2006 Greg Landrum
3
//
4
//
5
#include <
RDGeneral/export.h
>
6
#ifndef _RD_MOL_CATALOG_H_
7
#define _RD_MOL_CATALOG_H_
8
9
#include <
Catalogs/Catalog.h
>
10
#include <
GraphMol/MolCatalog/MolCatalogEntry.h
>
11
#include <
GraphMol/MolCatalog/MolCatalogParams.h
>
12
13
namespace
RDKit
{
14
15
//! a hierarchical catalog for holding molecules
16
typedef
RDCatalog::HierarchCatalog<MolCatalogEntry, MolCatalogParams, int>
17
MolCatalog
;
18
}
19
20
#endif
export.h
RDKit::MolCatalog
RDCatalog::HierarchCatalog< MolCatalogEntry, MolCatalogParams, int > MolCatalog
a hierarchical catalog for holding molecules
Definition:
MolCatalog.h:17
Catalog.h
RDCatalog::HierarchCatalog
A Catalog with a hierarchical structure.
Definition:
Catalog.h:135
RDKit
Std stuff.
Definition:
Atom.h:30
MolCatalogEntry.h
MolCatalogParams.h
GraphMol
MolCatalog
MolCatalog.h
Generated on Wed May 1 2019 11:56:24 for RDKit by
1.8.13