fixed sorted in create_files_info

gcms_data_analysis/main.py

@@ -1400,8 +1400,8 @@ def create_files_info(self):
         input path if an existing 'files_info' file is not found. It autogenerates filenames,
         samples, and replicates based on the GCMS file names, saves the DataFrame to
         'files_info.xlsx', and sets it as the current 'files_info' attribute."""
-        filename = [a.parts[-1].split('.')[0]
-            for a in list(Project.in_path.glob('**/*.txt'))]
+        filename = sorted([a.parts[-1].split('.')[0]
+            for a in list(Project.in_path.glob('**/*.txt'))])
         samplename = [f.split('_')[0] for f in filename]
         replicate_number = [f.split('_')[1] for f in filename]
         files_info_no_defaults = pd.DataFrame({'filename':filename,

scripts/utils.py

@@ -4,8 +4,9 @@
 import numpy as np
 from pandas.testing import assert_frame_equal
 
-example_data_path = plib.Path(plib.Path(__file__).parent.parent,
-    'example/data/')
+# example_data_path = plib.Path(plib.Path(__file__).parent.parent,
+#     'example/data/')
+example_data_path = r"C:\Users\mp933\OneDrive - Cornell University\Python\gcms_data_analysis\example\data"
 Project.set_folder_path(example_data_path)
 gcms = Project()
 #%%

tests/conftest.py

@@ -21,7 +21,7 @@ def checked_files_info():
             'total_sample_conc_in_vial_mg_L': [560.0000000000001, 560.0000000000001, 112.0, 112.0, 2800.0, 2800.0],
             'sample_yield_on_feedstock_basis_fr': [0.45, 0.46, 0.47, 0.48, 0.49, 0.5],
             'calibration_file': ['calibration', 'calibration', 'deriv_calibration', 'deriv_calibration', 'calibration', 'calibration'],
-            }
+        }
     )
     return files_info
 

tests/test_gcms_data_analysis.py

@@ -10,8 +10,8 @@ def test_load_files_info(gcms, checked_files_info):
 
 def test_create_files_info(gcms, checked_created_files_info):
     to_check = gcms.create_files_info()
-    to_check_sorted = to_check.sort_index()
-    assert_frame_equal(to_check_sorted, checked_created_files_info,
+    # to_check_sorted = to_check.sort_index()
+    assert_frame_equal(to_check, checked_created_files_info,
         check_exact=False, atol=1e-5, rtol=1e-5)
 
 
@@ -173,6 +173,7 @@ def test_create_samples_info(gcms, checked_samples_info):
 
 def test_add_stats_to_samples_info_no_calibrations(gcms, checked_samples_info_no_calibrations):
     _ = gcms.create_files_info()
+
     gcms.files_info['calibration_file'] = False
     gcms.load_calibrations()
     _ = gcms.add_stats_to_files_info()