rdkit.Chem.rdSubstructLibrary.FPHolderBase

Package rdkit :: Package Chem :: Module rdSubstructLibrary :: Class FPHolderBase |
[hide private]
[frames] | no frames]

# Class FPHolderBase

     object --+
              |
    ??.instance --+
                  |
                 FPHolderBase

Known Subclasses:
  - PatternHolder

Instance Methods | [hide private]
AddFingerprint(...) AddFingerprint( (FPHolderBase)arg1, (ExplicitBitVect)arg2) -> int : Adds a raw bit vector to the fingerprint database, returns the index of the supplied pattern |
AddMol(...) AddMol( (FPHolderBase)arg1, (Mol)arg2) -> int : Adds a molecule to the fingerprint database, returns the index of the new pattern |
GetFingerprint(...) GetFingerprint( (FPHolderBase)arg1, (int)arg2) -> ExplicitBitVect : Return the bit vector at the specified index |
MakeFingerprint(...) MakeFingerprint( (FPHolderBase)arg1, (Mol)mol) -> ExplicitBitVect : Compute the query bits for the holder |
PassesFilter(...) PassesFilter( (FPHolderBase)arg1, (int)idx, (ExplicitBitVect)query) -> bool : Returns True if the specified index passes the filter supplied by the query bit vector |
__init__(...) Raises an exception... |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

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

Method Details | [hide private]

### AddFingerprint(...) |
    AddFingerprint( (FPHolderBase)arg1, (ExplicitBitVect)arg2) -> int :
        Adds a raw bit vector to the fingerprint database, returns the index of the supplied pattern

        C++ signature :
            unsigned int AddFingerprint(RDKit::FPHolderBase {lvalue},ExplicitBitVect)

### AddMol(...) |
    AddMol( (FPHolderBase)arg1, (Mol)arg2) -> int :
        Adds a molecule to the fingerprint database, returns the index of the new pattern

        C++ signature :
            unsigned int AddMol(RDKit::FPHolderBase {lvalue},RDKit::ROMol)

### GetFingerprint(...) |
    GetFingerprint( (FPHolderBase)arg1, (int)arg2) -> ExplicitBitVect :
        Return the bit vector at the specified index

        C++ signature :
            ExplicitBitVect GetFingerprint(RDKit::FPHolderBase {lvalue},unsigned int)

### MakeFingerprint(...) |
    MakeFingerprint( (FPHolderBase)arg1, (Mol)mol) -> ExplicitBitVect :
        Compute the query bits for the holder

        C++ signature :
            ExplicitBitVect* MakeFingerprint(RDKit::FPHolderBase {lvalue},RDKit::ROMol)

### PassesFilter(...) |
    PassesFilter( (FPHolderBase)arg1, (int)idx, (ExplicitBitVect)query) -> bool :
        Returns True if the specified index passes the filter supplied by the query bit vector

        C++ signature :
            bool PassesFilter(RDKit::FPHolderBase {lvalue},unsigned int,ExplicitBitVect)

### __init__(...) (Constructor) |
    Raises an exception
    This class cannot be instantiated from Python
Overrides: object.__init__

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