added protein name reformatting for libraries with single, non-list p…

…roteins

src/zodiaq/loaders/library/libraryLoaderStrategy.py

@@ -87,11 +87,18 @@ def load_zodiaq_library_dict_from_file(
         random.seed(0)
         self._load_raw_library_object_from_file(libraryFilePath)
         zodiaqLibDict = self._format_raw_library_object_into_zodiaq_library_dict()
+        format_proteins_into_list_format(zodiaqLibDict)
         if determine_if_decoys_should_be_generated(zodiaqLibDict) and not isTest:
             zodiaqLibDict = add_decoys_to_zodiaq_library(zodiaqLibDict)
         return zodiaqLibDict
 
 
+def format_proteins_into_list_format(zodiaqLibDict):
+    for key, value in zodiaqLibDict.items():
+        if value["proteinName"] and not value["proteinName"][:1].isdigit():
+            value["proteinName"] = f'1/{value["proteinName"]}'
+
+
 def create_peaks_from_mz_intensity_lists_and_zodiaq_key_id(
     mz: list, intensities: list, id: int
 ) -> list:

tests/unit/loaders/library/test_LibraryLoaderStrategy.py

@@ -1,6 +1,7 @@
 from zodiaq.loaders.library.libraryLoaderStrategy import (
     create_peaks_from_mz_intensity_lists_and_zodiaq_key_id,
     remove_low_intensity_peaks_below_max_peak_num,
+    format_proteins_into_list_format,
 )
 import pytest
 
@@ -26,7 +27,7 @@ def testPeaks():
     ]
 
 
-def test__library_loader_strategy_traml__create_peaks_from_mz_intensity_lists_and_zodiaq_key_id(
+def test__library_loader_strategy__create_peaks_from_mz_intensity_lists_and_zodiaq_key_id(
     testPeaks,
 ):
     numPeaks = 15
@@ -39,7 +40,7 @@ def test__library_loader_strategy_traml__create_peaks_from_mz_intensity_lists_an
     assert peaks == testPeaks
 
 
-def test__library_loader_strategy_traml__remove_low_intensity_peaks_below_max_peak_num(
+def test__library_loader_strategy__remove_low_intensity_peaks_below_max_peak_num(
     testPeaks,
 ):
     maxPeakNum = 10
@@ -61,7 +62,7 @@ def test__library_loader_strategy_traml__remove_low_intensity_peaks_below_max_pe
     assert reducedTestPeaks == expectedReducedTestPeaks
 
 
-def test__library_loader_strategy_traml__remove_low_intensity_peaks_below_max_peak_num__all_peaks_returned_when_length_fewer_than_max_peak_num(
+def test__library_loader_strategy__remove_low_intensity_peaks_below_max_peak_num__all_peaks_returned_when_length_fewer_than_max_peak_num(
     testPeaks,
 ):
     maxPeakNum = 10
@@ -81,3 +82,21 @@ def test__library_loader_strategy_traml__remove_low_intensity_peaks_below_max_pe
         shortTestPeaks, maxPeakNum
     )
     assert reducedShortTestPeaks == expectedReducedShortTestPeaks
+
+
+def test__library_loader_strategy__format_proteins_into_list_format():
+    zodiaqLibraryDict = {
+        (100.0, "PEPTIDE"): {
+            "proteinName": "PROTEIN",
+        }
+    }
+    format_proteins_into_list_format(zodiaqLibraryDict)
+    assert zodiaqLibraryDict[(100.0, "PEPTIDE")]["proteinName"] == "1/PROTEIN"
+
+    zodiaqLibraryDict = {
+        (200.0, "PEPTIDE"): {
+            "proteinName": "",
+        }
+    }
+    format_proteins_into_list_format(zodiaqLibraryDict)
+    assert zodiaqLibraryDict[(200.0, "PEPTIDE")]["proteinName"] == ""