rdkit.Chem.rdchem.EditableMol

Package rdkit :: Package Chem :: Module rdchem :: Class EditableMol |
[hide private]
[frames] | no frames]

# 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)