masster 0.3.10__py3-none-any.whl → 0.3.12__py3-none-any.whl

masster/sample/load.py

@@ -85,9 +85,9 @@ def load(
         filename = self.file_path
     filename = os.path.abspath(filename)
     if not os.path.exists(filename):
-        raise FileNotFoundError(f"Filename not valid. Provide a valid file path.")
+        raise FileNotFoundError("Filename not valid. Provide a valid file path.")
     self.ondisk = ondisk
-    
+
     # check if file is mzML
     if filename.lower().endswith(".mzml"):
         self._load_mzML(filename)
@@ -97,7 +97,7 @@ def load(
         self._load_raw(filename)
     elif filename.lower().endswith(".sample5"):
         self._load_sample5(filename)
-    #elif filename.lower().endswith(".h5"):
+    # elif filename.lower().endswith(".h5"):
     #    self._load_h5(filename)
     else:
         raise ValueError("File must be .mzML, .wiff, *.raw, or .sample5")
@@ -137,7 +137,7 @@ def _load_mzML(
     # check if filename exists
     if filename is None:
         raise ValueError("Filename must be provided.")
-    
+
     filename = os.path.abspath(filename)
     # check if it exists
     if not os.path.exists(filename):
@@ -310,7 +310,7 @@ def _load_raw(
         - Initiates further analysis by invoking analyze_dda().
     """
     from alpharaw.thermo import ThermoRawData
-    
+
     if not filename:
         raise ValueError("Filename must be provided.")
 
@@ -318,7 +318,7 @@ def _load_raw(
     # check if it exists
     if not os.path.exists(filename):
         raise FileNotFoundError(f"File {filename} not found.")
-    
+
     raw_data = ThermoRawData(centroided=False)
     raw_data.keep_k_peaks_per_spec = self.parameters.max_points_per_spectrum
     # check thatupdat filename ends with .raw
@@ -470,10 +470,12 @@ def _load_wiff(
     try:
         # Use masster's own implementation first
         from masster.sample.sciex import SciexWiffData as MassterSciexWiffData
+
         SciexWiffDataClass = MassterSciexWiffData
     except ImportError:
         # Fallback to alpharaw if masster implementation fails
         from alpharaw.sciex import SciexWiffData as AlpharawSciexWiffData
+
         SciexWiffDataClass = AlpharawSciexWiffData
 
     if not filename:
@@ -483,7 +485,7 @@ def _load_wiff(
     # check if it exists
     if not os.path.exists(filename):
         raise FileNotFoundError(f"File {filename} not found.")
-    
+
     raw_data = SciexWiffDataClass(centroided=False)
     raw_data.keep_k_peaks_per_spec = self.parameters.max_points_per_spectrum
 
@@ -911,7 +913,7 @@ def index_file(self):
             oms.MzMLFile().load(self.file_source, omsexp)
             self.file_obj = omsexp
     elif os.path.exists(self.file_source) and self.file_source.lower().endswith(".sample5"):
-        # this is an old save, try to see if 
+        # this is an old save, try to see if
         if os.path.exists(self.file_source.replace(".sample5", ".wiff")):
             self.set_source(self.file_source.replace(".sample5", ".wiff"))
         elif os.path.exists(self.file_source.replace(".sample5", ".raw")):
@@ -919,7 +921,9 @@ def index_file(self):
         elif os.path.exists(self.file_source.replace(".sample5", ".mzml")):
             self.set_source(self.file_source.replace(".sample5", ".mzml"))
         else:
-            raise FileNotFoundError(f"File {self.file_source} not found. Did the path change? Consider running source().")
+            raise FileNotFoundError(
+                f"File {self.file_source} not found. Did the path change? Consider running source()."
+            )
         self.index_file()
     else:
         raise FileNotFoundError(f"File {self.file_source} not found. Did the path change? Consider running source().")