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



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

an editable molecule class



Instance Methods [hide private]
 
AddAtom(...)
add an atom...
 
AddBond(...)
add a bond...
 
GetMol(...)
Returns a Mol (a normal molecule)...
 
RemoveAtom(...)
Remove the specified atom from the molecule...
 
RemoveBond(...)
Remove the specified bond from the molecule...
 
ReplaceAtom(...)
replaces the specified atom with the provided one...
 
__init__(...)
Construct from a Mol...

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Class Variables [hide private]
  __instance_size__ = 12
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

AddAtom(...)

 
add an atom
C++ signature:
    AddAtom(RDKit::(anonymous namespace)::EditableMol {lvalue} mol, RDKit::Atom* atom) -> void*

AddBond(...)

 
add a bond
C++ signature:
    AddBond(RDKit::(anonymous namespace)::EditableMol {lvalue} mol, unsigned int beginAtomIdx, unsigned int endAtomIdx, RDKit::Bond::BondType order=Chem.rdchem.BondType.UNSPECIFIED) -> void*

GetMol(...)

 
Returns a Mol (a normal molecule)
C++ signature:
    GetMol(RDKit::(anonymous namespace)::EditableMol {lvalue}) -> RDKit::ROMol*

RemoveAtom(...)

 
Remove the specified atom from the molecule
C++ signature:
    RemoveAtom(RDKit::(anonymous namespace)::EditableMol {lvalue}, unsigned int) -> void*

RemoveBond(...)

 
Remove the specified bond from the molecule
C++ signature:
    RemoveBond(RDKit::(anonymous namespace)::EditableMol {lvalue}, unsigned int, unsigned int) -> void*

ReplaceAtom(...)

 
replaces the specified atom with the provided one
C++ signature:
    ReplaceAtom(RDKit::(anonymous namespace)::EditableMol {lvalue} mol, unsigned int index, RDKit::Atom* newAtom) -> void*

__init__(...)
(Constructor)

 
Construct from a Mol
C++ signature:
    __init__(_object*, RDKit::ROMol) -> void*

Overrides: object.__init__