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otype in semantikon #82

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samwaseda opened this issue Dec 17, 2024 · 2 comments
Closed

otype in semantikon #82

samwaseda opened this issue Dec 17, 2024 · 2 comments
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enhancement New feature or request

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@samwaseda
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samwaseda commented Dec 17, 2024

We should define otype for the ontological type, which is distinct from datatypes. In particular it should work like:

from ase import Atoms


def create_vacancy(structure: Atoms) -> u(Atoms, otype="hasVacancy"):
    del structure[0]
    return structure

Now, should we also create triple(-s) for cases like (cf. this issue):

def create_structure(element: str) -> u(Atoms, triple=("hasElement", "input.element")):
    structure = build.bulk(element)
    return structure
@samwaseda samwaseda added the enhancement New feature or request label Dec 17, 2024
@samwaseda
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I'm starting to feel that otype should be abolished and only triple should be used. In the case of vacancy, it should be triple=("hasDefect", "vacancy"). Otherwise I just don't see the conceptual difference between the two.

@samwaseda
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Since otype is gone and my question now belongs to a bigger picture, I close this issue.

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