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adding test to checks for duplicated parameters in defaults.yaml #913

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merged 21 commits into from
Sep 10, 2024

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@VGPReys VGPReys commented Jun 26, 2024

You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:

  • You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
  • Your PR is about CNS
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  • You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
  • Your code follows our coding style
  • You wrote tests for the new code
  • tox tests pass. Run tox command inside the repository folder
  • -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
  • PR does not add any dependencies, unless permission granted by the HADDOCK team
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  • Your PR is about writing documentation for already existing code 🔥
  • Your PR is about writing tests for already existing code :godmode:

Closes #911 and #912

Adding runtime checks to:

  • evaluate duplicated parameters in default.yaml files.
  • validate default.yaml parameter schemes

Adding tests to:

  • evaluate duplicated parameters in default.yaml files.
  • validate default.yaml parameter schemes
  • test new validation functions

@VGPReys VGPReys self-assigned this Jun 26, 2024
@VGPReys VGPReys added bug Something isn't working enhancement Enhancing an existing feature of adding a new one labels Jun 26, 2024
@VGPReys VGPReys requested a review from mgiulini June 26, 2024 14:12
mgiulini
mgiulini previously approved these changes Jun 26, 2024
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Just a few comments, good job doing this without adding a dependency!

src/haddock/gear/prepare_run.py Show resolved Hide resolved
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src/haddock/gear/validations.py Outdated Show resolved Hide resolved
src/haddock/libs/libio.py Show resolved Hide resolved
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mgiulini
mgiulini previously approved these changes Jul 5, 2024
@VGPReys VGPReys requested a review from rvhonorato July 5, 2024 14:22
src/haddock/gear/validations.py Outdated Show resolved Hide resolved
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src/haddock/core/defaults.py Show resolved Hide resolved
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@VGPReys VGPReys mentioned this pull request Jul 18, 2024
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mgiulini
mgiulini previously approved these changes Jul 30, 2024
@rvhonorato rvhonorato merged commit 27bd340 into main Sep 10, 2024
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@rvhonorato rvhonorato deleted the repeated-param-test branch September 10, 2024 11:48
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Validate YAML schema and format in parameter files
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