Package rdkit :: Package Chem :: Module rdchem :: Class EditableMol
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Class EditableMol

 object --+    
          |    
??.instance --+
              |
             EditableMol

an editable molecule class

Instance Methods [hide private]
 
AddAtom(...)
AddAtom( (EditableMol)mol, (Atom)atom) -> int : add an atom, returns the index of the newly added atom
 
AddBond(...)
AddBond( (EditableMol)mol, (int)beginAtomIdx, (int)endAtomIdx [, (BondType)order=rdkit.Chem.rdchem.BondType.UNSPECIFIED]) -> int : add a bond, returns the index of the newly added bond
 
GetMol(...)
GetMol( (EditableMol)arg1) -> Mol : Returns a Mol (a normal molecule)
 
RemoveAtom(...)
RemoveAtom( (EditableMol)arg1, (int)arg2) -> None : Remove the specified atom from the molecule
 
RemoveBond(...)
RemoveBond( (EditableMol)arg1, (int)arg2, (int)arg3) -> None : Remove the specified bond from the molecule
 
ReplaceAtom(...)
ReplaceAtom( (EditableMol)mol, (int)index, (Atom)newAtom) -> None : replaces the specified atom with the provided one
 
__init__(...)
__init__( (object)arg1, (Mol)arg2) -> None : Construct from a Mol
 
__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__ = 24
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

AddAtom(...)

 

AddAtom( (EditableMol)mol, (Atom)atom) -> int :
    add an atom, returns the index of the newly added atom

    C++ signature :
        int AddAtom(RDKit::(anonymous namespace)::EditableMol {lvalue},RDKit::Atom*)

AddBond(...)

 

AddBond( (EditableMol)mol, (int)beginAtomIdx, (int)endAtomIdx [, (BondType)order=rdkit.Chem.rdchem.BondType.UNSPECIFIED]) -> int :
    add a bond, returns the index of the newly added bond

    C++ signature :
        int AddBond(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int,unsigned int [,RDKit::Bond::BondType=rdkit.Chem.rdchem.BondType.UNSPECIFIED])

GetMol(...)

 

GetMol( (EditableMol)arg1) -> Mol :
    Returns a Mol (a normal molecule)

    C++ signature :
        RDKit::ROMol* GetMol(RDKit::(anonymous namespace)::EditableMol {lvalue})

RemoveAtom(...)

 

RemoveAtom( (EditableMol)arg1, (int)arg2) -> None :
    Remove the specified atom from the molecule

    C++ signature :
        void RemoveAtom(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int)

RemoveBond(...)

 

RemoveBond( (EditableMol)arg1, (int)arg2, (int)arg3) -> None :
    Remove the specified bond from the molecule

    C++ signature :
        void RemoveBond(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int,unsigned int)

ReplaceAtom(...)

 

ReplaceAtom( (EditableMol)mol, (int)index, (Atom)newAtom) -> None :
    replaces the specified atom with the provided one

    C++ signature :
        void ReplaceAtom(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int,RDKit::Atom*)

__init__(...)
(Constructor)

 

__init__( (object)arg1, (Mol)arg2) -> None :
    Construct from a Mol

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

Overrides: object.__init__

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)