Chem.rdMolCatalog.MolCatalog

Package Chem :: Module rdMolCatalog :: Class MolCatalog |
[hide private]
[frames] | no frames]

# 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__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Class Variables | [hide private]
| __instance_size__ = `68`
| __safe_for_unpickling__ = `True`

Properties | [hide private]
Inherited from `object`: `__class__`

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::string 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::string 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::string 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::string)
Overrides: object.__init__

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)