#include <FilterCatalog.h>
Definition at line 42 of file FilterCatalog.h.
◆ FilterCatalogs
Enumerator |
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PAINS_A | |
PAINS_B | |
PAINS_C | |
PAINS | |
BRENK | |
NIH | |
ZINC | |
ALL | |
Definition at line 44 of file FilterCatalog.h.
◆ FilterCatalogParams() [1/3]
RDKit::FilterCatalogParams::FilterCatalogParams |
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inline |
◆ FilterCatalogParams() [2/3]
RDKit::FilterCatalogParams::FilterCatalogParams |
( |
FilterCatalogs |
catalogs | ) |
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inline |
◆ FilterCatalogParams() [3/3]
◆ ~FilterCatalogParams()
virtual RDKit::FilterCatalogParams::~FilterCatalogParams |
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inlinevirtual |
◆ addCatalog()
virtual bool RDKit::FilterCatalogParams::addCatalog |
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FilterCatalogs |
catalogs | ) |
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virtual |
Adds an existing FilterCatalog specification to be used in the.
Specifies an existing filter catalog to be used.
- Parameters
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catalogs | One of the enumerated known FilterCatalogs |
◆ fillCatalog()
virtual void RDKit::FilterCatalogParams::fillCatalog |
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FilterCatalog & |
catalog | ) |
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virtual |
Fill a catalog with the appropriate entries.
◆ getCatalogs()
const std::vector<FilterCatalogs>& RDKit::FilterCatalogParams::getCatalogs |
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const |
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inline |
◆ initFromStream()
virtual void RDKit::FilterCatalogParams::initFromStream |
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std::istream & |
ss | ) |
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virtual |
◆ initFromString()
virtual void RDKit::FilterCatalogParams::initFromString |
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const std::string & |
text | ) |
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virtual |
◆ Serialize()
virtual std::string RDKit::FilterCatalogParams::Serialize |
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const |
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virtual |
◆ toStream()
virtual void RDKit::FilterCatalogParams::toStream |
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std::ostream & |
ss | ) |
const |
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virtual |
The documentation for this class was generated from the following file: