Package rdkit :: Package Chem :: Module rdfiltercatalog :: Class FilterCatalog
[hide private]
[frames] | no frames]

Class FilterCatalog

 object --+    
          |    
??.instance --+
              |
             FilterCatalog

Instance Methods [hide private]
 
AddEntry(...)
AddEntry( (FilterCatalog)entry [, (FilterCatalogEntry)updateFPLength=False]) -> None : Add a FilterCatalogEntry to the catalog
 
GetEntry(...)
GetEntry( (FilterCatalog)arg1, (int)idx) -> FilterCatalogEntry : Return the FilterCatalogEntry at the specified index
 
GetEntryWithIdx(...)
GetEntryWithIdx( (FilterCatalog)arg1, (int)idx) -> FilterCatalogEntry : Return the FilterCatalogEntry at the specified index
 
GetFilterMatches(...)
GetFilterMatches( (FilterCatalog)arg1, (Mol)mol) -> VectFilterMatch : Return every matching filter from all catalog entries that match mol
 
GetFirstMatch(...)
GetFirstMatch( (FilterCatalog)arg1, (Mol)mol) -> FilterCatalogEntry : Return the first catalog entry that matches mol
 
GetMatches(...)
GetMatches( (FilterCatalog)arg1, (Mol)mol) -> FilterCatalogEntryList : Return all catalog entries that match mol
 
GetNumEntries(...)
GetNumEntries( (FilterCatalog)arg1) -> int : Returns the number of entries in the catalog
 
HasMatch(...)
HasMatch( (FilterCatalog)arg1, (Mol)mol) -> bool : Returns True if the catalog has an entry that matches mol
 
RemoveEntry(...)
RemoveEntry( (FilterCatalog)arg1, (AtomPairsParameters)arg2) -> bool : Remove the given entry from the catalog
 
Serialize(...)
Serialize( (FilterCatalog)arg1) -> object :
 
__getinitargs__(...)
__getinitargs__( (FilterCatalog)arg1) -> tuple :
 
__init__(...)
__init__( (object)arg1) -> 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__ = 64
  __safe_for_unpickling__ = True
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

AddEntry(...)

 

AddEntry( (FilterCatalog)entry [, (FilterCatalogEntry)updateFPLength=False]) -> None :
    Add a FilterCatalogEntry to the catalog

    C++ signature :
        void AddEntry(RDKit::FilterCatalog {lvalue} [,RDKit::FilterCatalogEntry*=False])

GetEntry(...)

 

GetEntry( (FilterCatalog)arg1, (int)idx) -> FilterCatalogEntry :
    Return the FilterCatalogEntry at the specified index

    C++ signature :
        boost::shared_ptr<RDKit::FilterCatalogEntry const> GetEntry(RDKit::FilterCatalog {lvalue},unsigned int)

GetEntryWithIdx(...)

 

GetEntryWithIdx( (FilterCatalog)arg1, (int)idx) -> FilterCatalogEntry :
    Return the FilterCatalogEntry at the specified index

    C++ signature :
        boost::shared_ptr<RDKit::FilterCatalogEntry const> GetEntryWithIdx(RDKit::FilterCatalog {lvalue},unsigned int)

GetFilterMatches(...)

 

GetFilterMatches( (FilterCatalog)arg1, (Mol)mol) -> VectFilterMatch :
    Return every matching filter from all catalog entries that match mol

    C++ signature :
        std::vector<RDKit::FilterMatch, std::allocator<RDKit::FilterMatch> > GetFilterMatches(RDKit::FilterCatalog {lvalue},RDKit::ROMol)

GetFirstMatch(...)

 

GetFirstMatch( (FilterCatalog)arg1, (Mol)mol) -> FilterCatalogEntry :
    Return the first catalog entry that matches mol

    C++ signature :
        boost::shared_ptr<RDKit::FilterCatalogEntry const> GetFirstMatch(RDKit::FilterCatalog {lvalue},RDKit::ROMol)

GetMatches(...)

 

GetMatches( (FilterCatalog)arg1, (Mol)mol) -> FilterCatalogEntryList :
    Return all catalog entries that match mol

    C++ signature :
        std::vector<boost::shared_ptr<RDKit::FilterCatalogEntry const>, std::allocator<boost::shared_ptr<RDKit::FilterCatalogEntry const> > > GetMatches(RDKit::FilterCatalog {lvalue},RDKit::ROMol)

GetNumEntries(...)

 

GetNumEntries( (FilterCatalog)arg1) -> int :
    Returns the number of entries in the catalog

    C++ signature :
        unsigned int GetNumEntries(RDKit::FilterCatalog {lvalue})

HasMatch(...)

 

HasMatch( (FilterCatalog)arg1, (Mol)mol) -> bool :
    Returns True if the catalog has an entry that matches mol

    C++ signature :
        bool HasMatch(RDKit::FilterCatalog {lvalue},RDKit::ROMol)

RemoveEntry(...)

 

RemoveEntry( (FilterCatalog)arg1, (AtomPairsParameters)arg2) -> bool :
    Remove the given entry from the catalog

    C++ signature :
        bool RemoveEntry(RDKit::FilterCatalog {lvalue},boost::python::api::object)

Serialize(...)

 

Serialize( (FilterCatalog)arg1) -> object :

    C++ signature :
        boost::python::api::object Serialize(RDKit::FilterCatalog)

__getinitargs__(...)

 

__getinitargs__( (FilterCatalog)arg1) -> tuple :

    C++ signature :
        boost::python::tuple __getinitargs__(RDKit::FilterCatalog)

__init__(...)
(Constructor)

 

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

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

    C++ signature :
        void __init__(_object*,std::string)

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

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

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

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

Overrides: object.__init__

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)