Fix psm utils obj assumption

Author: RobbinBouwmeester

CHANGELOG.md

@@ -5,6 +5,12 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to
 [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+# [2.2.11] - 2023-08-19
+
+### Changed
+- Remove assumption psm_utils_obj
+
+
 # [2.2.10] - 2023-08-19
 
 ### Changed

deeplc/deeplc.py

@@ -929,7 +929,7 @@ def calibrate_preds(self,
             for seq,mod,ident,tr in zip(seq_df["seq"],seq_df["modifications"],seq_df.index,seq_df["tr"]):
                 list_of_psms.append(PSM(peptidoform=peprec_to_proforma(seq,mod),spectrum_id=ident,retention_time=tr))
             psm_list = PSMList(psm_list=list_of_psms)
-        else:
+        elif psm_utils_obj:
             psm_list = psm_utils_obj    
 
         if isinstance(self.model, str):

setup.py

@@ -6,7 +6,7 @@
 
 setup(
     name='deeplc',
-    version='2.2.10',
+    version='2.2.11',
     license='apache-2.0',
     description='DeepLC: Retention time prediction for (modified) peptides using Deep Learning.',
     long_description=LONG_DESCRIPTION,