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)arg1, (Atom)atom) -> int : add an atom, returns the index of the newly added atom
 
AddBond(...)
AddBond( (EditableMol)arg1, (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)arg1, (int)index, (Atom)newAtom [, (bool)updateLabel=False [, (bool)preserveProps=False]]) -> None : replaces the specified atom with the provided one If updateLabel is True, the new atom becomes the active atom If preserveProps is True preserve keep the existing props unless explicit set on the new atom
 
ReplaceBond(...)
ReplaceBond( (EditableMol)arg1, (int)index, (Bond)newBond [, (bool)preserveProps=False]) -> None : replaces the specified bond 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)arg1, (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)arg1, (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)arg1, (int)index, (Atom)newAtom [, (bool)updateLabel=False [, (bool)preserveProps=False]]) -> None :
    replaces the specified atom with the provided one
    If updateLabel is True, the new atom becomes the active atom
    If preserveProps is True preserve keep the existing props unless explicit set on the new atom

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

ReplaceBond(...)

 

ReplaceBond( (EditableMol)arg1, (int)index, (Bond)newBond [, (bool)preserveProps=False]) -> None :
    replaces the specified bond with the provided one.
    If preserveProps is True preserve keep the existing props unless explicit set on the new bond

    C++ signature :
        void ReplaceBond(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int,RDKit::Bond* [,bool=False])

__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)