RDKit
Open-source cheminformatics and machine learning.
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RDKit::FilterCatalog Member List
This is the complete list of members for
RDKit::FilterCatalog
, including all inherited members.
addEntry
(FilterCatalogEntry *entry, bool updateFPLength=true) override
RDKit::FilterCatalog
addEntry
(SENTRY entry, bool updateFPLength=true)
RDKit::FilterCatalog
virtual
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >::addEntry
(FilterCatalogEntry *entry, bool updateFPLength=true)=0
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
pure virtual
Catalog
()
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
CONST_SENTRY
typedef
RDKit::FilterCatalog
d_fpLength
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
protected
dp_cParams
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
protected
entryType_t
typedef
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
FilterCatalog
()
RDKit::FilterCatalog
inline
FilterCatalog
(FilterCatalogParams::FilterCatalogs catalogs)
RDKit::FilterCatalog
inline
FilterCatalog
(const FilterCatalogParams ¶ms)
RDKit::FilterCatalog
inline
FilterCatalog
(const FilterCatalog &rhs)
RDKit::FilterCatalog
inline
FilterCatalog
(const std::string &binStr)
RDKit::FilterCatalog
getCatalogParams
() const
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
getEntry
(unsigned int idx) const
RDKit::FilterCatalog
getEntryWithIdx
(unsigned int idx) const override
RDKit::FilterCatalog
virtual
getFilterMatches
(const ROMol &mol) const
RDKit::FilterCatalog
getFirstMatch
(const ROMol &mol) const
RDKit::FilterCatalog
getFPLength
() const
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
getIdxForEntry
(const FilterCatalogEntry *entry) const
RDKit::FilterCatalog
getIdxForEntry
(CONST_SENTRY entry) const
RDKit::FilterCatalog
getMatches
(const ROMol &mol) const
RDKit::FilterCatalog
getNumEntries
() const override
RDKit::FilterCatalog
inline
virtual
hasMatch
(const ROMol &mol) const
RDKit::FilterCatalog
paramType_t
typedef
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
removeEntry
(unsigned int idx)
RDKit::FilterCatalog
removeEntry
(CONST_SENTRY entry)
RDKit::FilterCatalog
SENTRY
typedef
RDKit::FilterCatalog
Serialize
() const override
RDKit::FilterCatalog
virtual
setCatalogParams
(const FilterCatalogParams *params) override
RDKit::FilterCatalog
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >::setCatalogParams
(const FilterCatalogParams *params)
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
virtual
setFPLength
(unsigned int val)
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
~Catalog
()
RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
inline
virtual
~FilterCatalog
() override
RDKit::FilterCatalog
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