Package rdkit :: Package Chem :: Module rdMolCatalog :: Class MolCatalog
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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__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  __instance_size__ = 136
  __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)