temporarily support older peptdeep again

Author: mschwoer

alphadia/transferlearning/train.py

@@ -241,7 +241,13 @@ def __init__(
         if set(self.charged_frag_types) != set(
             self.ms2_model.model.supported_charged_frag_types
         ):
-            self.reinitialize_ms2_model(charged_frag_types=self.charged_frag_types)
+            try:
+                self.reinitialize_ms2_model(charged_frag_types=self.charged_frag_types)
+            except AttributeError:
+                # TODO this is just a patch for the E2E tests, remove after peptdeep version bump
+                logger.warning(
+                    "Found custom charged frag types, but the MS2 model does not support them. This functionality requires peptdeep>=1.5.0"
+                )
         self.load_installed_models()
 
     def _reset_frag_idx(self, df):

requirements/requirements.txt

@@ -4,7 +4,7 @@
 alpharaw>=0.3.1
 alphatims>=1.0.8
 alphabase>=1.5.0
-peptdeep>=1.3.0
+peptdeep>=1.3.0 # TODO: remove try-execept in transferlearning/train.py:244 after bump to 1.5.0
 directlfq>=0.2.19
 # others
 argparse