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materialsproject / mapidoc

Public repo for Materials API documentation
BSD 3-Clause "New" or "Revised" License
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document pymatgen methods? #13

Open computron opened 6 years ago

computron commented 6 years ago

Technically pymatgen and mapi are separate, but perhaps it would be useful to document some of the pymatgen built-ins here. See:

https://groups.google.com/forum/#!topic/pymatgen/d3q1q6TgDTY

Perhaps in a different folder than "materials" - e.g. pymatgen?

shyuep commented 6 years ago

I would suggest we do the reverse. For each PMG method, we put a link to the relevant mapi link. E.g., get_structure_by_id basically points to the https://github.com/materialsproject/mapidoc/tree/master/materials/structure in the doc.

I can also add a link to pymatgen's built in methods API http://pymatgen.org/pymatgen.ext.matproj.html?highlight=mprester

computron commented 6 years ago

If I understand correctly, you want to put the documentation in pymatgen instead of mapidoc.

I certainly support linking pymatgen to mapidoc, but currently mapidoc is "missing" information. e.g., for example, it's possible to get phonon information (e.g. through pymatgen) but this information is not present anywhere in mapidoc. Since mapidoc is supposed to be the ultimate reference of things you can get with the Materials API, it should be documented somewhere in mapidoc itself that phonon information is available.

Of course, ideally there would be some kind of phonon key in mapidoc that pymatgen can point to. But currently, there is no such key

shyamd commented 6 years ago

Sounds like another thing to add the dissemination checklist.

Shyam Dwaraknath Materials Research Scientist Lawrence Berkeley Labs

From: Anubhav Jain notifications@github.com notifications@github.com Reply: materialsproject/mapidoc reply@reply.github.com reply@reply.github.com Date: August 1, 2018 at 10:00:50 AM To: materialsproject/mapidoc mapidoc@noreply.github.com mapidoc@noreply.github.com Cc: Subscribed subscribed@noreply.github.com subscribed@noreply.github.com Subject: Re: [materialsproject/mapidoc] document pymatgen methods? (#13)

If I understand correctly, you want to put the documentation in pymatgen instead of mapidoc.

I certainly support linking pymatgen to mapidoc, but currently mapidoc is "missing" information. e.g., for example, it's possible to get phonon information (e.g. through pymatgen) but this information is not present anywhere in mapidoc. Since mapidoc is supposed to be the ultimate reference of things you can get with the Materials API, it should be documented somewhere in mapidoc itself that phonon information is available.

Of course, ideally there would be some kind of phonon key in mapidoc that pymatgen can point to. But currently, there is no such key

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shyuep commented 6 years ago

@computron Yes, I know that. There is actually an automated code to generate the full mapidoc from a MongoDB doc (which someone in the MP team needs to provide since I am retired from day-to-day querying of the db...). I would suggest we use something that has a lot of properties, e.g., Al2O3 that @kristinpersson mentioned previously. And yes, this should be added to the dissemination checklist. @richardtran415 - pls follow up.