masster 0.3.2__tar.gz → 0.3.3__tar.gz

{masster-0.3.2 → masster-0.3.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: masster
-Version: 0.3.2
+Version: 0.3.3
 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-0.3.2 → masster-0.3.3}/pyproject.toml

@@ -1,7 +1,7 @@
 
 [project]
 name = "masster"
-version = "0.3.2"
+version = "0.3.3"
 description = "Mass spectrometry data analysis package"
 authors = [
     { name = "Zamboni Lab" }

{masster-0.3.2 → masster-0.3.3}/src/masster/study/plot.py

@@ -161,7 +161,9 @@ def plot_consensus_2d(
     alpha=0.7,
     cmap=None,
     width=900,
-    height=900
+    height=900,
+    mz_range=None,
+    rt_range=None
 ):
     """
     Plot consensus features in a 2D scatter plot with retention time vs m/z.
@@ -178,11 +180,20 @@ def plot_consensus_2d(
         cmap (str, optional): Color map name
         width (int): Plot width in pixels (default: 900)
         height (int): Plot height in pixels (default: 900)
+        mz_range (tuple, optional): m/z range for filtering consensus features (min_mz, max_mz)
+        rt_range (tuple, optional): Retention time range for filtering consensus features (min_rt, max_rt)
     """
     if self.consensus_df is None:
         self.logger.error("No consensus map found.")
         return
     data = self.consensus_df.clone()
+    
+    # Filter by mz_range and rt_range if provided
+    if mz_range is not None:
+        data = data.filter((pl.col("mz") >= mz_range[0]) & (pl.col("mz") <= mz_range[1]))
+    if rt_range is not None:
+        data = data.filter((pl.col("rt") >= rt_range[0]) & (pl.col("rt") <= rt_range[1]))
+    
     if colorby not in data.columns:
         self.logger.error(f"Column {colorby} not found in consensus_df.")
         return
@@ -329,7 +340,9 @@ def plot_samples_2d(
     cmap="Turbo256",
     max_features=50000,
     width=900,
-    height=900
+    height=900,
+    mz_range=None,
+    rt_range=None
 ):
     """
     Plot all feature maps for sample_uid in parameter uids in an overlaid scatter plot.
@@ -349,6 +362,8 @@ def plot_samples_2d(
         max_features (int): Maximum number of features to plot (default: 50000)
         width (int): Plot width in pixels (default: 900)
         height (int): Plot height in pixels (default: 900)
+        mz_range (tuple, optional): m/z range for filtering features (min_mz, max_mz)
+        rt_range (tuple, optional): Retention time range for filtering features (min_rt, max_rt)
     """
 
     sample_uids = self._get_sample_uids(samples)
@@ -370,6 +385,12 @@ def plot_samples_2d(
 
     # OPTIMIZATION 1: Batch filter all features for selected samples at once
     features_batch = self.features_df.filter(pl.col("sample_uid").is_in(sample_uids))
+    
+    # Filter by mz_range and rt_range if provided
+    if mz_range is not None:
+        features_batch = features_batch.filter((pl.col("mz") >= mz_range[0]) & (pl.col("mz") <= mz_range[1]))
+    if rt_range is not None:
+        features_batch = features_batch.filter((pl.col("rt") >= rt_range[0]) & (pl.col("rt") <= rt_range[1]))
 
     if features_batch.is_empty():
         self.logger.error("No features found for the selected samples.")

{masster-0.3.2 → masster-0.3.3}/uv.lock

@@ -1585,7 +1585,7 @@ wheels = [
 
 [[package]]
 name = "masster"
-version = "0.3.2"
+version = "0.3.3"
 source = { editable = "." }
 dependencies = [
     { name = "alphabase" },