Package rdkit :: Package Chem :: Module rdSubstructLibrary :: Class FPHolderBase

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)

Class FPHolderBase

AddFingerprint(...)

AddMol(...)

GetFingerprint(...)

MakeFingerprint(...)

PassesFilter(...)

__init__(...) (Constructor)

__reduce__(...)

init(...)
(Constructor)

reduce(...)