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Xrd reader integration #179

Merged
merged 34 commits into from
Dec 3, 2023
Merged

Xrd reader integration #179

merged 34 commits into from
Dec 3, 2023

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RubelMozumder
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@RubelMozumder RubelMozumder commented Nov 20, 2023

PR:

  1. XRD Reader for xrdml file.
  2. Refactoring some functions into multiple functions so that the features of the original function can be used separately.
  3. Update test_mpes_writting according to the modified application definition that come from nexus def. PR-51.
  4. Updating test file for nexus test test_get_node_at_nxdl_path() according to PR-51 (see above). Now that the test file has been placed in the test data folder, the nexus feature test does not break due to change in application modification.

Next Step:

  1. To make the reader generalised for other version of the xrdml files.
  2. To include other types of file e.g. udf, xye, etc, and the several version of that file.

@RubelMozumder RubelMozumder marked this pull request as ready for review November 24, 2023 08:40
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@sherjeelshabih, @lukaspie or @domna can you review the PR. I need to merge it in a bit hurry, so that I bring this into the nomad develop branch and finish the first step of XRD project.

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@lukaspie lukaspie left a comment

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Thanks @RubelMozumder, it look already quite nice. Some comments:

  • The XRD works once you implement the change I am suggesting in the xrd_helper.
  • Files and test notebooks should be removed.

I am now checking if the updates to the converter/writer also work for other data than XRD.

pynxtools/nexus/nexus.py Outdated Show resolved Hide resolved
pynxtools/nexus/nexus.py Outdated Show resolved Hide resolved
pynxtools/dataconverter/readers/xrd/xrd_parser.py Outdated Show resolved Hide resolved
pynxtools/dataconverter/readers/xrd/Untitled.ipynb Outdated Show resolved Hide resolved
pynxtools/dataconverter/readers/xrd/xrd_helper.py Outdated Show resolved Hide resolved
@FAIRmat-NFDI FAIRmat-NFDI deleted a comment from lukaspie Nov 24, 2023
@RubelMozumder RubelMozumder mentioned this pull request Nov 24, 2023
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LGTM

@RubelMozumder RubelMozumder force-pushed the XRD_reader_integretion branch 2 times, most recently from 8d021af to 29819c6 Compare November 24, 2023 17:01
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coveralls commented Nov 27, 2023

Pull Request Test Coverage Report for Build 7075918067

  • 352 of 412 (85.44%) changed or added relevant lines in 10 files are covered.
  • 1 unchanged line in 1 file lost coverage.
  • Overall coverage increased (+1.1%) to 52.122%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pynxtools/nexus/nexus.py 11 12 91.67%
pynxtools/dataconverter/convert.py 25 27 92.59%
pynxtools/dataconverter/readers/xrd/xrd_helper.py 88 96 91.67%
pynxtools/dataconverter/helpers.py 33 42 78.57%
pynxtools/dataconverter/readers/xrd/xrd_parser.py 126 137 91.97%
pynxtools/dataconverter/readers/xrd/reader.py 41 70 58.57%
Files with Coverage Reduction New Missed Lines %
pynxtools/dataconverter/convert.py 1 81.25%
Totals Coverage Status
Change from base Build 7045854627: 1.1%
Covered Lines: 6152
Relevant Lines: 11803

💛 - Coveralls

pynxtools/dataconverter/convert.py Outdated Show resolved Hide resolved
pynxtools/dataconverter/convert.py Show resolved Hide resolved
pynxtools/dataconverter/helpers.py Show resolved Hide resolved
pynxtools/dataconverter/template.py Outdated Show resolved Hide resolved
pynxtools/dataconverter/writer.py Outdated Show resolved Hide resolved
@sherjeelshabih sherjeelshabih changed the title Xrd reader integretion Xrd reader integration Nov 29, 2023
@RubelMozumder RubelMozumder removed the request for review from domna November 29, 2023 21:00
@RubelMozumder RubelMozumder force-pushed the XRD_reader_integretion branch from 2331052 to 49daf29 Compare December 1, 2023 15:22
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LGTM

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sanbrock commented Dec 1, 2023

The update of nexus_definitions does not seem to be correct and matching the MPES and EM tests.

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The update of nexus_definitions does not seem to be correct and matching the MPES and EM tests.

This EM application definition is changed in fairmat brach.

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RubelMozumder commented Dec 2, 2023

Sorry @sherjeelshabih for turning off you from PR. I thought I could immediately merge the PR after tuning off you from the reviewer list. But later I see another blocker from Markus PR in Nexus definition.

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Sorry @sherjeelshabih for turning off you from PR. I thought I could immediately merge the PR after tuning off you from the reviewer list. But later I see another blocker from Markus PR in Nexus definition.

No worries. Just relax.
I've solved the duplicate code issue I was asking for in another PR, #190.
I'll add you as a reviewer there.

@RubelMozumder RubelMozumder merged commit e7d5206 into master Dec 3, 2023
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@sherjeelshabih sherjeelshabih deleted the XRD_reader_integretion branch January 15, 2024 15:50
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6 participants