Chem.rdchem.EditableMol

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(...) 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__