Package rdkit :: Package Chem :: Module rdMolCatalog :: Class MolCatalog

class MolCatalog

 object --+    
          |    
??.instance --+
              |
             MolCatalog

Instance Methods

[hide private]

AddEdge(...)
AddEdge( (MolCatalog)arg1, (int)arg2, (int)arg3) -> None :

AddEntry(...)
AddEntry( (MolCatalog)arg1, (MolCatalogEntry)arg2) -> int :

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

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

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

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

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

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

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

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

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

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

__reduce__(...)

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

__instance_size__ = 144

__safe_for_unpickling__ = True

Method Details

[hide private]

AddEdge(...)


AddEdge( (MolCatalog)arg1, (int)arg2, (int)arg3) -> None :

    C++ signature :
        void AddEdge(RDCatalog::HierarchCatalog<RDKit::MolCatalogEntry, RDKit::MolCatalogParams, int> {lvalue},unsigned int,unsigned int)

AddEntry(...)


AddEntry( (MolCatalog)arg1, (MolCatalogEntry)arg2) -> int :

    C++ signature :
        unsigned int AddEntry(RDCatalog::HierarchCatalog<RDKit::MolCatalogEntry, RDKit::MolCatalogParams, int>*,RDKit::MolCatalogEntry*)

GetBitDescription(...)


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

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

GetBitEntryId(...)


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

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

GetEntryBitId(...)


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

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

GetEntryDescription(...)


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

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

GetEntryDownIds(...)


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

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

GetFPLength(...)


GetFPLength( (MolCatalog)arg1) -> int :

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

GetNumEntries(...)


GetNumEntries( (MolCatalog)arg1) -> int :

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

Serialize(...)


Serialize( (MolCatalog)arg1) -> str :

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

getinitargs(...)


__getinitargs__( (MolCatalog)arg1) -> tuple :

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

init(...)
(Constructor)


__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 MolCatalog

AddEdge(...)

AddEntry(...)

GetBitDescription(...)

GetBitEntryId(...)

GetEntryBitId(...)

GetEntryDescription(...)

GetEntryDownIds(...)

GetFPLength(...)

GetNumEntries(...)

Serialize(...)

__getinitargs__(...)

__init__(...) (Constructor)

__reduce__(...)

getinitargs(...)

init(...)
(Constructor)

reduce(...)