RDKit
Open-source cheminformatics and machine learning.
Filters.h
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31 
32 #include <RDGeneral/export.h>
33 #ifndef __RDKIT_FILTERDATA__
34 #define __RDKIT_FILTERDATA__
35 
36 #include "FilterCatalogEntry.h"
37 #include "FilterCatalog.h"
38 
39 namespace RDKit {
40 struct FilterData_t {
41  const char *name;
42  const char *smarts;
43  unsigned int max;
44  const char *comment;
45 };
46 
48  const char *key;
49  const char *value;
50 };
51 
57 
59  unsigned int num_props = 0,
60  const FilterProperty_t *props = 0);
61 } // namespace RDKit
62 
63 #endif
RDKit::FilterData_t::max
unsigned int max
Definition: Filters.h:43
RDKit::FilterData_t::smarts
const char * smarts
Definition: Filters.h:42
RDKit::FilterProperty_t::key
const char * key
Definition: Filters.h:48
RDKit::FilterData_t::name
const char * name
Definition: Filters.h:41
RDKit::FilterData_t::comment
const char * comment
Definition: Filters.h:44
RDKit::GetFilterProperties
const FilterProperty_t * GetFilterProperties(FilterCatalogParams::FilterCatalogs catalog)
FilterCatalogEntry.h
FilterCatalog.h
RDKit::GetNumEntries
unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog)
RDKit::FilterData_t
Definition: Filters.h:40
RDKit::FilterProperty_t::value
const char * value
Definition: Filters.h:49
RDKit::FilterCatalogParams::FilterCatalogs
FilterCatalogs
Definition: FilterCatalog.h:45
RDKit::GetNumPropertyEntries
unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog)
RDKit::FilterCatalogEntry
Definition: FilterCatalogEntry.h:55
RDKit
Std stuff.
Definition: Atom.h:30
RDKit::FilterProperty_t
Definition: Filters.h:47
RDKit::GetFilterData
const FilterData_t * GetFilterData(FilterCatalogParams::FilterCatalogs catalog)
RDKit::MakeFilterCatalogEntry
FilterCatalogEntry * MakeFilterCatalogEntry(const FilterData_t &, unsigned int num_props=0, const FilterProperty_t *props=0)
export.h