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Dev twa mops #1330

Merged
merged 83 commits into from
Dec 19, 2024
Merged

Dev twa mops #1330

merged 83 commits into from
Dec 19, 2024

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jb2197
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@jb2197 jb2197 commented Aug 28, 2024

This PR implements OntoMOPs and its associated algorithms using twa OGM.

@jb2197 jb2197 requested review from sm453 and Kondinski August 28, 2024 16:49
@jb2197 jb2197 self-assigned this Aug 28, 2024
jb2197 and others added 23 commits November 25, 2024 17:04
… the overshooting of geometric center of atoms is no longer relevant.
…ore size diameter, outer diameter, and largest inner sphere diameter results.
…uaternion and translation vectors used to perform the CBU coordinates transformation.
…o accommodate asymmetrical pore ring formed in AM (4-planar)x6(3-pyramidal)x8_Th.
…te center to plane of connecting points so that the vector always points towards the AM center.
…with multiple rdf:type, where deepest subclass will be used for instantiation of python objects.
…ts the situation where multiple rdf:type from different branches of the inheritance tree are defined for the same object. The expected behaviour is to find the deepest subclass and use it as the class for instantiation.
…emoves unneeded casting to lists.

Co-authored-by: Seán Courtney <[email protected]>
@jb2197 jb2197 requested a review from sm453 December 19, 2024 16:47
@jb2197 jb2197 requested a review from sm453 December 19, 2024 17:22
@jb2197 jb2197 merged commit a309038 into main Dec 19, 2024
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@jb2197 jb2197 deleted the dev-twa-mops branch December 19, 2024 17:33
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2 participants