remove clusters larger than max_cluster_size

j-brady · Mar 5, 2024 · e024885 · e024885
1 parent 66f1d11
commit e024885
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/peakipy/cli/main.py b/peakipy/cli/main.py
@@ -673,6 +673,8 @@ def fit(
     max_cluster_size = warn_if_trying_to_fit_large_clusters(
         max_cluster_size, peakipy_data
     )
+    # remove peak clusters larger than max_cluster_size
+    peakipy_data.df = peakipy_data.df[peakipy_data.df.MEMCNT <= max_cluster_size]
 
     args["max_cluster_size"] = max_cluster_size
     args["to_fix"] = fix

diff --git a/peakipy/core.py b/peakipy/core.py
@@ -1757,10 +1757,8 @@ def update_df(self):
         self.df["X_AXISf"] = self.df.X_PPM.apply(lambda x: self.uc_f2.f(x, "ppm"))
         self.df["Y_AXISf"] = self.df.Y_PPM.apply(lambda x: self.uc_f1.f(x, "ppm"))
         # in case of missing values (should estimate though)
-        # self.df.XW_HZ.replace("None", "20.0", inplace=True)
-        # self.df.YW_HZ.replace("None", "20.0", inplace=True)
-        self.df.XW_HZ.replace(np.NaN, "20.0", inplace=True)
-        self.df.YW_HZ.replace(np.NaN, "20.0", inplace=True)
+        self.df["XW_HZ"] = self.df.XW_HZ.replace(np.NaN, "20.0")
+        self.df["YW_HZ"] = self.df.YW_HZ.replace(np.NaN, "20.0")
         # convert linewidths to float
         self.df["XW_HZ"] = self.df.XW_HZ.apply(lambda x: float(x))
         self.df["YW_HZ"] = self.df.YW_HZ.apply(lambda x: float(x))