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 #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 47 struct FilterProperty_t { 48 const char *key; 49 const char *value; 50 }; 51 52 unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog); 53 const FilterData_t *GetFilterData(FilterCatalogParams::FilterCatalogs catalog); 54 unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog); 55 const FilterProperty_t *GetFilterProperties( 56 FilterCatalogParams::FilterCatalogs catalog); 57 58 FilterCatalogEntry *MakeFilterCatalogEntry( 59 const FilterData_t &, unsigned int num_props = 0, 60 const FilterProperty_t *props = nullptr); 61 } // namespace RDKit 62 63 #endif 64