RDKit
Open-source cheminformatics and machine learning.
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RDKit::FragCatalogEntry Member List
This is the complete list of members for
RDKit::FragCatalogEntry
, including all inherited members.
clearProp
(const std::string_view &key) const
RDKit::FragCatalogEntry
inline
FragCatalogEntry
()
RDKit::FragCatalogEntry
inline
FragCatalogEntry
(const ROMol *omol, const PATH_TYPE &path, const MatchVectType &aidToFid)
RDKit::FragCatalogEntry
FragCatalogEntry
(const std::string &pickle)
RDKit::FragCatalogEntry
getBitId
() const
RDCatalog::CatalogEntry
inline
getDescription
() const override
RDKit::FragCatalogEntry
inline
virtual
getDiscrims
() const
RDKit::FragCatalogEntry
getFuncGroupMap
() const
RDKit::FragCatalogEntry
inline
getOrder
() const
RDKit::FragCatalogEntry
inline
getProp
(const std::string_view &key, T &res) const
RDKit::FragCatalogEntry
inline
getSmarts
()
RDKit::FragCatalogEntry
inline
hasProp
(const std::string_view &key) const
RDKit::FragCatalogEntry
inline
initFromStream
(std::istream &ss) override
RDKit::FragCatalogEntry
virtual
initFromString
(const std::string &text) override
RDKit::FragCatalogEntry
virtual
match
(const FragCatalogEntry *other, double tol) const
RDKit::FragCatalogEntry
Serialize
() const override
RDKit::FragCatalogEntry
virtual
setBitId
(int bid)
RDCatalog::CatalogEntry
inline
setDescription
(const std::string &val)
RDKit::FragCatalogEntry
inline
setDescription
(const FragCatParams *params)
RDKit::FragCatalogEntry
setProp
(const std::string_view &key, T &val) const
RDKit::FragCatalogEntry
inline
setProp
(const std::string_view &key, int val) const
RDKit::FragCatalogEntry
inline
setProp
(const std::string_view &key, float val) const
RDKit::FragCatalogEntry
inline
setProp
(const std::string_view &key, std::string &val) const
RDKit::FragCatalogEntry
inline
toStream
(std::ostream &ss) const override
RDKit::FragCatalogEntry
virtual
~CatalogEntry
()=0
RDCatalog::CatalogEntry
pure virtual
~FragCatalogEntry
() override
RDKit::FragCatalogEntry
inline
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