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object --+
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??.instance --+
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EditableMol
an editable molecule class
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Inherited from Inherited from |
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__instance_size__ = 24
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Inherited from |
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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*)
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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])
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GetMol( (EditableMol)arg1) -> Mol :
Returns a Mol (a normal molecule)
C++ signature :
RDKit::ROMol* GetMol(RDKit::(anonymous namespace)::EditableMol {lvalue})
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RemoveAtom( (EditableMol)arg1, (int)arg2) -> None :
Remove the specified atom from the molecule
C++ signature :
void RemoveAtom(RDKit::(anonymous namespace)::EditableMol {lvalue},unsigned int)
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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)
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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]])
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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])
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__init__( (object)arg1, (Mol)arg2) -> None :
Construct from a Mol
C++ signature :
void __init__(_object*,RDKit::ROMol)
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helper for pickle
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