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10 replace xrd file reader #13

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@RubelMozumder RubelMozumder commented Sep 18, 2023

  • Adding pynxtools as a submodule
  • Get the entire plugin workflow working
    • Running
  • Write a general parser for
    • xrdml
    • xye
    • udf
    • raw
  • General normalizer to fill NeXus template from file parsers (inside reader)
  • Set a pipeline for getting NeXus template in plugin schema
  • Test Plugin in Nomad
  • Add a normalize step in the plugin to fill up the NeXus section in Nomad.

@RubelMozumder RubelMozumder linked an issue Sep 18, 2023 that may be closed by this pull request
@RubelMozumder RubelMozumder force-pushed the 10-replace-xrd-file-reader branch from 15fd406 to 28fb1ef Compare September 19, 2023 17:58
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RubelMozumder commented Nov 21, 2023

Hi @hampusnasstrom, once I am done with the ci in pynxtools and nomad then I would urge to test the plugin in nomad and give a feedback.

Other are, the different types of files:

  1. At this point the reader is working only for a specific version of xrdml. The entire workflow should be accepted first. Then we have to sit together on how can we progress for other versions of the XRDml file. How many versions are available? Once we reach a satisfactory level for xrdml type file, we will proceed with other file types e.g. xye, udf, raw.

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Hi @hampusnasstrom, once I am done with the ci in pynxtools and nomad then I would urge to test the plugin in nomad and give a feedback.

Other are, the different types of files:

1. At this point the reader is working only for a specific version of xrdml. The entire workflow should be accepted first. Then we have to sit together on how can we progress for other versions of the XRDml file. How many versions are available? Once we reach a satisfactory level for xrdml type file, we will proceed with other file types e.g. xye, udf, raw.

Sarthak and I are currently implementing .xrdml (without xrayutilities) and .rasx in a standalone reader for now. We will then have a look at other file types as we get requests from users.

I will later suggest some changes in your code after we have done some refactoring. We discussed in area A and think it best to extract the read and write into functions like Markus is suggesting here: https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/blob/develop/docs/explanation/processing.md?ref_type=heads#strategies-for-re-usable-processing-code

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Replace XRD File Reader
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