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Bug/conformer preprocessor #109

Merged
merged 3 commits into from
Jan 29, 2024
Merged

Bug/conformer preprocessor #109

merged 3 commits into from
Jan 29, 2024

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singjc
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@singjc singjc commented Jan 26, 2024

Description

When performing peak picking with Conformer, depending on the peptide selected, a value error is thrown due to issues with incorrect dimensions. This is due to the adjust_length method when length < len(self.data):. The current method slices the data 1 point to the left and one point to the right, which results in data with single dimension data point.

I fixed the method to perform proper data trimming on the left and right. I also added unittests for Data1D.

Fixes #108

Type of change

Please delete options that are not relevant.

  • Bug fix (non-breaking change which fixes an issue)

How Has This Been Tested?

Added unittests for Data1D class.

Checklist:

  • My code follows the style guidelines of this project
  • I have performed a self-review of my code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • My changes generate no new warnings
  • I have added tests that prove my fix is effective or that my feature works
  • New and existing unit tests pass locally with my changes
  • Any dependent changes have been merged and published in downstream modules

Contents (#109)

Other

  • [BUG] in adjusting data length when data length is greater than desired length
  • [ADD] unittest for Data1D struct
  • [LINT] add brackets for bedmas

@singjc singjc linked an issue Jan 26, 2024 that may be closed by this pull request
@singjc singjc added the bug Something isn't working label Jan 26, 2024
@singjc singjc requested a review from jcharkow January 26, 2024 23:27
@singjc singjc merged commit 787a33f into dev Jan 29, 2024
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@singjc singjc deleted the bug/conformer_preprocessor branch January 29, 2024 20:22
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[BUG] Conformer Peak Picking Incorrect Dimensions
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