RDKit: Filters.h Source File

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Filters.h
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1 // Copyright (c) 2015, Novartis Institutes for BioMedical Research Inc.
2 // All rights reserved.
3 //
4 // Redistribution and use in source and binary forms, with or without
5 // modification, are permitted provided that the following conditions are
6 // met:
7 //
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above
11 // copyright notice, this list of conditions and the following
12 // disclaimer in the documentation and/or other materials provided
13 // with the distribution.
14 // * Neither the name of Novartis Institutes for BioMedical Research Inc.
15 // nor the names of its contributors may be used to endorse or promote
16 // products derived from this software without specific prior written
17 // permission.
18 //
19 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
20 // "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
21 // LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
22 // A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
23 // OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
24 // SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
25 // LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
26 // DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
27 // THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
28 // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
29 // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
30 //
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
46 struct FilterProperty_t {
47 const char *key;
48 const char *value;
49 };
50
51 unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog);
52 const FilterData_t *GetFilterData(FilterCatalogParams::FilterCatalogs catalog);
53 unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog);
54 const FilterProperty_t *GetFilterProperties(
55 FilterCatalogParams::FilterCatalogs catalog);
56
57 FilterCatalogEntry *MakeFilterCatalogEntry(const FilterData_t &,
58 unsigned int num_props = 0,
59 const FilterProperty_t *props = 0);
60 }
61
62 #endif
RDKit::GetNumEntries
unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog)
RDKit::FilterData_t::smarts
const char * smarts
Definition: Filters.h:41
RDKit::FilterData_t::max
unsigned int max
Definition: Filters.h:42
RDKit::FilterData_t
Definition: Filters.h:39
RDKit::FilterData_t::name
const char * name
Definition: Filters.h:40
RDKit::FilterData_t::comment
const char * comment
Definition: Filters.h:43
RDKit::MakeFilterCatalogEntry
FilterCatalogEntry * MakeFilterCatalogEntry(const FilterData_t &, unsigned int num_props=0, const FilterProperty_t *props=0)
RDKit::GetFilterData
const FilterData_t * GetFilterData(FilterCatalogParams::FilterCatalogs catalog)
RDKit::GetFilterProperties
const FilterProperty_t * GetFilterProperties(FilterCatalogParams::FilterCatalogs catalog)
RDKit
Std stuff.
Definition: Atom.h:29
RDKit::FilterCatalogEntry
Definition: FilterCatalogEntry.h:54
RDKit::FilterProperty_t
Definition: Filters.h:46
FilterCatalogEntry.h
RDKit::FilterProperty_t::value
const char * value
Definition: Filters.h:48
RDKit::FilterCatalogParams::FilterCatalogs
FilterCatalogs
Definition: FilterCatalog.h:43
RDKit::FilterProperty_t::key
const char * key
Definition: Filters.h:47
FilterCatalog.h
RDKit::GetNumPropertyEntries
unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog)