masster 0.3.12__tar.gz → 0.3.13__tar.gz

{masster-0.3.12 → masster-0.3.13}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: masster
-Version: 0.3.12
+Version: 0.3.13
 Summary: Mass spectrometry data analysis package
 Project-URL: homepage, https://github.com/zamboni-lab/masster
 Project-URL: repository, https://github.com/zamboni-lab/masster

{masster-0.3.12 → masster-0.3.13}/pyproject.toml

@@ -1,7 +1,7 @@
 
 [project]
 name = "masster"
-version = "0.3.12"
+version = "0.3.13"
 description = "Mass spectrometry data analysis package"
 authors = [
     { name = "Zamboni Lab" }

{masster-0.3.12 → masster-0.3.13}/src/masster/study/load.py

@@ -170,7 +170,7 @@ def add_sample(self, file, type=None, reset=False, adducts=None):
         self.logger.error(f"Unsupported file format: {file}")
         return
     if ddaobj.features_df is None and not reset:
-        self.logger.warning(
+        self.logger.debug(
             f"File {file} will be newly processed.",
         )
         ddaobj.features = None
@@ -278,8 +278,34 @@ def add_sample(self, file, type=None, reset=False, adducts=None):
         ).select(
             ["feature_uid"] + [col for col in f_df.columns if col != "feature_uid"],
         )
-        self.features_df = pl.concat([self.features_df, f_df])
         
+        # Reorganize f_df columns to match self.features_df column order and schema
+        target_columns = self.features_df.columns
+        target_schema = self.features_df.schema
+        f_df_columns = f_df.columns
+
+        # Create select expressions for reordering and type casting
+        select_exprs = []
+        for col in target_columns:
+            if col in f_df_columns:
+                # Cast to the expected type
+                expected_dtype = target_schema[col]
+                select_exprs.append(pl.col(col).cast(expected_dtype, strict=False))
+            else:
+                # Add missing columns with null values of the correct type
+                expected_dtype = target_schema[col]
+                select_exprs.append(pl.lit(None, dtype=expected_dtype).alias(col))
+
+        # Add any extra columns from f_df that aren't in target_columns (keep their original types)
+        for col in f_df_columns:
+            if col not in target_columns:
+                select_exprs.append(pl.col(col))
+
+        # Reorder and type-cast f_df columns
+        f_df = f_df.select(select_exprs)
+
+        self.features_df = pl.concat([self.features_df, f_df])
+            
     # Ensure features_df column order matches schema
     self._ensure_features_df_schema_order()
     

{masster-0.3.12 → masster-0.3.13}/uv.lock

@@ -1360,7 +1360,7 @@ wheels = [
 
 [[package]]
 name = "masster"
-version = "0.3.12"
+version = "0.3.13"
 source = { editable = "." }
 dependencies = [
     { name = "alphabase" },