Package rdkit :: Package Chem :: Module rdMolAlign :: Class O3A
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Class O3A

 object --+    
          |    
??.instance --+
              |
             O3A

Open3DALIGN object

Instance Methods [hide private]
 
Align(...)
Align( (O3A)self) -> float : aligns probe molecule onto reference molecule
 
Matches(...)
Matches( (O3A)self) -> list : returns the AtomMap as found by Open3DALIGN
 
Score(...)
Score( (O3A)self) -> float : returns the O3AScore of the alignment
 
Trans(...)
Trans( (O3A)self) -> object : returns the transformation which aligns probe molecule onto reference molecule
 
Weights(...)
Weights( (O3A)self) -> list : returns the weight vector as found by Open3DALIGN
 
__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]

Align(...)

 

Align( (O3A)self) -> float :
    aligns probe molecule onto reference molecule

    C++ signature :
        double Align(RDKit::MolAlign::PyO3A {lvalue})

Matches(...)

 

Matches( (O3A)self) -> list :
    returns the AtomMap as found by Open3DALIGN

    C++ signature :
        boost::python::list Matches(RDKit::MolAlign::PyO3A {lvalue})

Score(...)

 

Score( (O3A)self) -> float :
    returns the O3AScore of the alignment

    C++ signature :
        double Score(RDKit::MolAlign::PyO3A {lvalue})

Trans(...)

 

Trans( (O3A)self) -> object :
    returns the transformation which aligns probe molecule onto reference molecule

    C++ signature :
        _object* Trans(RDKit::MolAlign::PyO3A {lvalue})

Weights(...)

 

Weights( (O3A)self) -> list :
    returns the weight vector as found by Open3DALIGN

    C++ signature :
        boost::python::list Weights(RDKit::MolAlign::PyO3A {lvalue})

__init__(...)
(Constructor)

 
Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)