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Filters.h
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// Copyright (c) 2015, Novartis Institutes for BioMedical Research Inc.
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met:
//
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above
// copyright notice, this list of conditions and the following
// disclaimer in the documentation and/or other materials provided
// with the distribution.
// * Neither the name of Novartis Institutes for BioMedical Research Inc.
// nor the names of its contributors may be used to endorse or promote
// products derived from this software without specific prior written
// permission.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
#include <RDGeneral/export.h>
#ifndef __RDKIT_FILTERDATA__
#define __RDKIT_FILTERDATA__
#include "FilterCatalogEntry.h"
#include "FilterCatalog.h"
namespace RDKit {
struct FilterData_t {
const char *name;
const char *smarts;
unsigned int max;
const char *comment;
};
struct FilterProperty_t {
const char *key;
const char *value;
};
unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog);
const FilterData_t *GetFilterData(FilterCatalogParams::FilterCatalogs catalog);
unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog);
const FilterProperty_t *GetFilterProperties(
FilterCatalogParams::FilterCatalogs catalog);
FilterCatalogEntry *MakeFilterCatalogEntry(
const FilterData_t &, unsigned int num_props = 0,
const FilterProperty_t *props = nullptr);
} // namespace RDKit
#endif
FilterCatalogEntry.h
FilterCatalog.h
RDKit::FilterCatalogEntry
Definition FilterCatalogEntry.h:57
RDKit::FilterCatalogParams::FilterCatalogs
FilterCatalogs
Definition FilterCatalog.h:45
export.h
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::GetNumEntries
unsigned int GetNumEntries(FilterCatalogParams::FilterCatalogs catalog)
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition RDValue-doublemagic.h:372
RDKit::GetFilterData
const FilterData_t * GetFilterData(FilterCatalogParams::FilterCatalogs catalog)
RDKit::GetNumPropertyEntries
unsigned int GetNumPropertyEntries(FilterCatalogParams::FilterCatalogs catalog)
RDKit::GetFilterProperties
const FilterProperty_t * GetFilterProperties(FilterCatalogParams::FilterCatalogs catalog)
RDKit::MakeFilterCatalogEntry
FilterCatalogEntry * MakeFilterCatalogEntry(const FilterData_t &, unsigned int num_props=0, const FilterProperty_t *props=nullptr)
RDKit::FilterData_t
Definition Filters.h:40
RDKit::FilterData_t::comment
const char * comment
Definition Filters.h:44
RDKit::FilterData_t::name
const char * name
Definition Filters.h:41
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
Definition Filters.h:47
RDKit::FilterProperty_t::value
const char * value
Definition Filters.h:49
RDKit::FilterProperty_t::key
const char * key
Definition Filters.h:48