Package rdkit :: Package Chem :: Module rdfragcatalog :: Class FragCatalog

class FragCatalog

 object --+    
          |    
??.instance --+
              |
             FragCatalog

Instance Methods

[hide private]

GetBitDescription(...)
GetBitDescription( (FragCatalog)arg1, (int)arg2) -> str :

GetBitDiscrims(...)
GetBitDiscrims( (FragCatalog)arg1, (int)arg2) -> _vectd :

GetBitEntryId(...)
GetBitEntryId( (FragCatalog)arg1, (int)arg2) -> int :

GetBitFuncGroupIds(...)
GetBitFuncGroupIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

GetBitOrder(...)
GetBitOrder( (FragCatalog)arg1, (int)arg2) -> int :

GetCatalogParams(...)
GetCatalogParams( (FragCatalog)arg1) -> FragCatParams :

GetEntryBitId(...)
GetEntryBitId( (FragCatalog)arg1, (int)arg2) -> int :

GetEntryDescription(...)
GetEntryDescription( (FragCatalog)arg1, (int)arg2) -> str :

GetEntryDownIds(...)
GetEntryDownIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

GetEntryFuncGroupIds(...)
GetEntryFuncGroupIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

GetEntryOrder(...)
GetEntryOrder( (FragCatalog)arg1, (int)arg2) -> int :

GetFPLength(...)
GetFPLength( (FragCatalog)arg1) -> int :

GetNumEntries(...)
GetNumEntries( (FragCatalog)arg1) -> int :

Serialize(...)
Serialize( (FragCatalog)arg1) -> str :

__getinitargs__(...)
__getinitargs__( (FragCatalog)arg1) -> tuple :

__init__(...)
__init__( (object)arg1, (FragCatParams)arg2) -> None :

__reduce__(...)

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

__instance_size__ = 144

__safe_for_unpickling__ = True

Method Details

[hide private]

GetBitDescription(...)


GetBitDescription( (FragCatalog)arg1, (int)arg2) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetBitDescription(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetBitDiscrims(...)


GetBitDiscrims( (FragCatalog)arg1, (int)arg2) -> _vectd :

    C++ signature :
        std::vector<double, std::allocator<double> > GetBitDiscrims(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetBitEntryId(...)


GetBitEntryId( (FragCatalog)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int GetBitEntryId(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetBitFuncGroupIds(...)


GetBitFuncGroupIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

    C++ signature :
        std::vector<int, std::allocator<int> > GetBitFuncGroupIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetBitOrder(...)


GetBitOrder( (FragCatalog)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int GetBitOrder(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetCatalogParams(...)


GetCatalogParams( (FragCatalog)arg1) -> FragCatParams :

    C++ signature :
        RDKit::FragCatParams* GetCatalogParams(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue})

GetEntryBitId(...)


GetEntryBitId( (FragCatalog)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int GetEntryBitId(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetEntryDescription(...)


GetEntryDescription( (FragCatalog)arg1, (int)arg2) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetEntryDescription(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetEntryDownIds(...)


GetEntryDownIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

    C++ signature :
        std::vector<int, std::allocator<int> > GetEntryDownIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetEntryFuncGroupIds(...)


GetEntryFuncGroupIds( (FragCatalog)arg1, (int)arg2) -> _vecti :

    C++ signature :
        std::vector<int, std::allocator<int> > GetEntryFuncGroupIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetEntryOrder(...)


GetEntryOrder( (FragCatalog)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int GetEntryOrder(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*,unsigned int)

GetFPLength(...)


GetFPLength( (FragCatalog)arg1) -> int :

    C++ signature :
        unsigned int GetFPLength(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue})

GetNumEntries(...)


GetNumEntries( (FragCatalog)arg1) -> int :

    C++ signature :
        unsigned int GetNumEntries(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue})

Serialize(...)


Serialize( (FragCatalog)arg1) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > Serialize(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue})

getinitargs(...)


__getinitargs__( (FragCatalog)arg1) -> tuple :

    C++ signature :
        boost::python::tuple __getinitargs__(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int>)

init(...)
(Constructor)


__init__( (object)arg1, (FragCatParams)arg2) -> None :

    C++ signature :
        void __init__(_object*,RDKit::FragCatParams*)

__init__( (object)arg1, (str)arg2) -> None :

    C++ signature :
        void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

Overrides: object.__init__

reduce(...)

Overrides: object.__reduce__: (inherited documentation)

class FragCatalog

GetBitDescription(...)

GetBitDiscrims(...)

GetBitEntryId(...)

GetBitFuncGroupIds(...)

GetBitOrder(...)

GetCatalogParams(...)

GetEntryBitId(...)

GetEntryDescription(...)

GetEntryDownIds(...)

GetEntryFuncGroupIds(...)

GetEntryOrder(...)

GetFPLength(...)

GetNumEntries(...)

Serialize(...)

__getinitargs__(...)

__init__(...) (Constructor)

__reduce__(...)

getinitargs(...)

init(...)
(Constructor)

reduce(...)