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

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__(...)

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

__instance_size__ = 24

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(...)

Overrides: object.__reduce__: (inherited documentation)

class EditableMol

AddAtom(...)

AddBond(...)

GetMol(...)

RemoveAtom(...)

RemoveBond(...)

ReplaceAtom(...)

__init__(...) (Constructor)

__reduce__(...)

init(...)
(Constructor)

reduce(...)