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update: variable #81

Merged
merged 3 commits into from
Dec 12, 2024
Merged

update: variable #81

merged 3 commits into from
Dec 12, 2024

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@zprobot zprobot commented Dec 12, 2024

Summary by CodeRabbit

Release Notes

  • New Features

    • Introduced new constants for peptide analysis: TPA, MOLECULARWEIGHT, COPYNUMBER, CONCENTRATION_NM, WEIGHT_NG, MOLES_NMOL, GLOBALMEDIAN, and CONDITIONMEDIAN.
    • Enhanced plotting functions with dynamic width parameters for improved flexibility.
  • Bug Fixes

    • Improved error handling in the normalization process and label extraction.
  • Refactor

    • Updated normalization logic to use constants instead of string literals for better clarity and maintainability.

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coderabbitai bot commented Dec 12, 2024

Walkthrough

The pull request introduces significant modifications across three files: ibaqpy_commons.py, peptide_normalization.py, and peptides2protein.py. Key changes include the removal and addition of constants related to peptide analysis, updates to function signatures for improved flexibility, and refactoring of normalization logic to utilize newly defined constants. The changes enhance code clarity and maintainability while maintaining the overall structure and functionality of the existing methods.

Changes

File Path Change Summary
ibaqpy/bin/ibaqpy_commons.py Removed constants: FRAGMENT_ION, PRODUCT_CHARGE, ISOTOPE_LABEL_TYPE, STUDY_ID. Added constants: TPA, MOLECULARWEIGHT, COPYNUMBER, CONCENTRATION_NM, WEIGHT_NG, MOLES_NMOL, GLOBALMEDIAN, CONDITIONMEDIAN. Updated plot_distributions function to include a dynamic width parameter.
ibaqpy/bin/peptide_normalization.py Added constants: GLOBALMEDIAN, CONDITIONMEDIAN. Simplified get_label function by removing return type annotation. Updated normalization logic to use new constants instead of string literals. Enhanced error handling in get_label.
ibaqpy/bin/peptides2protein.py Added constants: TPA, MOLECULARWEIGHT, COPYNUMBER, CONCENTRATION_NM, MOLES_NMOL, WEIGHT_NG. Updated calculate_weight_and_concentration and peptides_to_protein functions to use new constants for DataFrame manipulations.

Possibly related PRs

  • tpa #77: The changes in peptide_normalization.py involve the addition of constants GLOBALMEDIAN and CONDITIONMEDIAN, which are also added in the main PR, indicating a direct relationship in terms of shared constants.
  • little change #80: The modifications in peptides2protein.py include the addition of constants such as TPA, MOLECULARWEIGHT, COPYNUMBER, CONCENTRATION_NM, WEIGHT_NG, and MOLES_NMOL, which are also introduced in the main PR, highlighting a connection through the shared constants and their usage in functions.

Suggested reviewers

  • ypriverol

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Constants dance and find their way.
With new names, they shine so bright,
Making logic clear, a pure delight.
Functions flex with width anew,
In our rabbit burrow, we code and brew! 🐇✨


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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
ibaqpy/bin/peptides2protein.py (1)

Line range hint 227-293: Consider extracting plot configuration.

While the changes to use constants are good, the plotting code contains repeated configuration patterns that could be extracted into a helper function.

Consider creating a helper function like:

def create_distribution_plot(data, value_column, sample_column, plot_width, title, log2=True):
    density = plot_distributions(
        data,
        value_column,
        sample_column,
        width=plot_width,
        log2=log2,
        title=f"{title} Distribution"
    )
    box = plot_box_plot(
        data,
        value_column,
        sample_column,
        width=plot_width,
        log2=log2,
        title=f"{title} Distribution",
        violin=False
    )
    return density, box
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between 02137db and 924a0a6.

📒 Files selected for processing (3)
  • ibaqpy/bin/ibaqpy_commons.py (2 hunks)
  • ibaqpy/bin/peptide_normalization.py (5 hunks)
  • ibaqpy/bin/peptides2protein.py (7 hunks)
🔇 Additional comments (7)
ibaqpy/bin/ibaqpy_commons.py (1)

46-53: LGTM: Well-structured constant definitions.

The addition of these constants improves code maintainability by replacing string literals with named constants. The naming is clear and follows the existing pattern.

ibaqpy/bin/peptides2protein.py (3)

19-24: LGTM: Clean import organization.

The new constants are properly imported and organized alongside related imports.


118-124: LGTM: Improved DataFrame operations.

The use of constants instead of string literals in DataFrame operations reduces the risk of typos and improves maintainability.


214-217: LGTM: Enhanced molecular weight handling.

The molecular weight calculations now use constants and include proper handling of edge cases (NaN and zero values).

ibaqpy/bin/peptide_normalization.py (3)

23-24: LGTM: Added normalization method constants.

The addition of normalization method constants improves code maintainability.


548-550: LGTM: Improved normalization method handling.

The use of constants for normalization methods improves code clarity and reduces the risk of typos in string comparisons.

Also applies to: 596-603


Line range hint 354-396: Verify label handling edge cases.

The updated get_label function now handles "LABEL FREE" labels, but we should verify the case-insensitive handling works as expected.

✅ Verification successful

Let me gather more information about the label handling implementation to ensure we have a complete picture.


Let me try a different approach to analyze the label handling implementation.


Let me check the content of the SDRF test file to understand the label handling test cases.


Based on the analysis of the code and test data, I can now provide the final response:

Case-insensitive label handling is properly implemented

The get_label function correctly handles case variations for "LABEL FREE" through:

  • Explicit check for uppercase "LABEL FREE"
  • Explicit check for lowercase "label free"
  • Consistent error messaging for unsupported label types
  • Proper integration with the TMT labeling workflow as evidenced by the test SDRF file

The implementation is robust and handles the edge cases appropriately. No changes needed.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for variations of "LABEL FREE" in the codebase
# to ensure consistent handling

rg -i "label.?free" --type py

Length of output: 376


Script:

#!/bin/bash
# Check the full context of label handling in the file
ast-grep --pattern 'def get_label($_) {
  $$$
}'

Length of output: 50


Script:

#!/bin/bash
# Search for test files that might verify label handling
fd "test.*\.py" --exec rg -l -i "label.?free|get_label"

# Also check for any SDRF-related test data that might contain label information
fd ".*sdrf.*" --extension tsv --extension txt

Length of output: 142


Script:

#!/bin/bash
# Check the content of the SDRF test file
head -n 5 tests/example/PXD017834-TMT.sdrf.tsv

# Also search for any direct usage of get_label function in the codebase
rg "get_label\(" -A 2

Length of output: 4037

@ypriverol ypriverol merged commit 9dc6585 into bigbio:master Dec 12, 2024
4 checks passed
@coderabbitai coderabbitai bot mentioned this pull request Jan 31, 2025
Merged
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2 participants