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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__ = 12
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Inherited from |
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add an atom
C++ signature:
AddAtom(RDKit::(anonymous namespace)::EditableMol {lvalue} mol, RDKit::Atom* atom) -> void*
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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*
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Returns a Mol (a normal molecule)
C++ signature:
GetMol(RDKit::(anonymous namespace)::EditableMol {lvalue}) -> RDKit::ROMol*
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Remove the specified atom from the molecule
C++ signature:
RemoveAtom(RDKit::(anonymous namespace)::EditableMol {lvalue}, unsigned int) -> void*
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Remove the specified bond from the molecule
C++ signature:
RemoveBond(RDKit::(anonymous namespace)::EditableMol {lvalue}, unsigned int, unsigned int) -> void*
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replaces the specified atom with the provided one
C++ signature:
ReplaceAtom(RDKit::(anonymous namespace)::EditableMol {lvalue} mol, unsigned int index, RDKit::Atom* newAtom) -> void*
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Construct from a Mol
C++ signature:
__init__(_object*, RDKit::ROMol) -> void*
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