rdkit.Chem.rdfiltercatalog.FilterCatalog

Package rdkit :: Package Chem :: Module rdfiltercatalog :: Class FilterCatalog |
[hide private]
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# 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 |
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 : |
__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`

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)

### 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)

### __init__(...) (Constructor) |
    __init__( (object)arg1) -> None :

        C++ signature :
            void __init__(_object*)

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

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

    __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)