RDKit
Open-source cheminformatics and machine learning.
Filters.h
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31 
32 #ifndef __RDKIT_FILTERDATA__
33 #define __RDKIT_FILTERDATA__
34 
35 #include "FilterCatalogEntry.h"
36 #include "FilterCatalog.h"
37 
38 namespace RDKit {
39 struct FilterData_t {
40  const char *name;
41  const char *smarts;
42  unsigned int max;
43  const char *comment;
44 };
45 
47  const char *key;
48  const char *value;
49 };
50 
56 
58  unsigned int num_props = 0,
59  const FilterProperty_t *props = 0);
60 }
61 
62 #endif
unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog)
const char * smarts
Definition: Filters.h:41
unsigned int max
Definition: Filters.h:42
const char * name
Definition: Filters.h:40
const char * comment
Definition: Filters.h:43
FilterCatalogEntry * MakeFilterCatalogEntry(const FilterData_t &, unsigned int num_props=0, const FilterProperty_t *props=0)
const FilterData_t * GetFilterData(FilterCatalogParams::FilterCatalogs catalog)
const FilterProperty_t * GetFilterProperties(FilterCatalogParams::FilterCatalogs catalog)
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29
const char * value
Definition: Filters.h:48
const char * key
Definition: Filters.h:47
unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog)