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emmo-repo / domain-crystallography

EMMO domain ontology to describe crystallography.
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UnitCell question? #3

Open lopeztarifa opened 2 years ago

lopeztarifa commented 2 years ago

Hi @jesper-friis,

In the ReaxPro project, we are trying to reuse the crystallography ontology. The problem is that we are dealing with 2D periodic systems. Is there any way of relaxing some of the constraints of the UnitCell? e.g. hasSpatialDirectPart exactly 3 LatticeVectors is no longer valid for us.

Thanks

jesper-friis commented 2 years ago

Yes, I think it is a good idea to not fix to 3 lattice vectors. Very useful to hear that there is a concrete need. Is this an urgent need for you? We will revise the whole ontology during the autumn.

lopeztarifa commented 2 years ago

Hi @jesper-friis,

Thanks for your answer, it will be great if you can relax the number of lattice vectors. The need is not so urgent but it might lead to conflicts in the future for the semantic wrappers we are developing. Autumn is fine 👍

Thanks, Pablo