[Request] More explicit function signature in Molecule.is_isomorphic_with

[lilyminium]

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It's quite easy to mis-remember which keyword arguments are taken by is_isomorphic_with because the actual definition is in Molecule.are_isomorphic.

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Instead of (other, **kwargs) explicitly list (other, return_atom_map=False, aromatic_matching=True, formal_charge_matching=True, bond_order_matching=True, atom_stereochemistry_matching=True, bond_stereochemistry_matching=True, strip_pyrimidal_n_atom_stereo=True, toolkit_registry=GLOBAL_TOOLKIT_REGISTRY, **kwargs)

It would be even nicer to take out **kwargs so typos, etc. don't go unnoticed.

It's more typing and more work, but easier to read.

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Keep status quo, make users read the docs.

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Edit:

Also, return_atom_map has no effect because is_isomorphic_with only ever returns the first item in the tuple.

[mattwthompson]

It would be even nicer to take out **kwargs so typos, etc. don't go unnoticed.

+1 from me on moving from keyword arguments to named arguments

[adalke]

Also, its docstring says:

        return_atom_map: bool, default=False, optional
            will return an optional dict containing the atomic mapping.

but the forwarding call uses a hard-coded:

            return_atom_map=False,

[j-wags]

Fully agree -- I'd love a PR that fixes this and adds a test to ensure that the return_atom_map kwarg works as intended.