pass CCS flag

Author: RobbinBouwmeester

CHANGELOG.md

@@ -5,6 +5,10 @@ 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).
 
+# [2.2.24] - 2023-11-14
+
+- Pass flag CCS feature extract
+
 # [2.2.23] - 2023-11-13
 
 - Reintroduce ability to predict CCS

deeplc/deeplc.py

@@ -328,7 +328,7 @@ def do_f_extraction(self, seqs, mods, identifiers, charges=[]):
 
         psm_list = PSMList(psm_list=list_of_psms)
 
-        return self.f_extractor.full_feat_extract(psm_list)
+        return self.f_extractor.full_feat_extract(psm_list,predict_ccs=self.predict_ccs)
 
     def do_f_extraction_pd(self,
                            df_instances,
@@ -360,7 +360,7 @@ def do_f_extraction_pd(self,
 
         psm_list = PSMList(psm_list=list_of_psms)
 
-        return self.f_extractor.full_feat_extract(psm_list)
+        return self.f_extractor.full_feat_extract(psm_list,predict_ccs=self.predict_ccs)
 
     def do_f_extraction_pd_parallel(self, df_instances):
         """
@@ -421,7 +421,7 @@ def do_f_extraction_psm_list(
         pd.DataFrame
             feature matrix
         """
-        return self.f_extractor.full_feat_extract(psm_list)
+        return self.f_extractor.full_feat_extract(psm_list,predict_ccs=self.predict_ccs)
 
     def do_f_extraction_psm_list_parallel(
                         self,

setup.py

@@ -6,7 +6,7 @@
 
 setup(
     name='deeplc',
-    version='2.2.23',
+    version='2.2.24',
     license='apache-2.0',
     description='DeepLC: Retention time prediction for (modified) peptides using Deep Learning.',
     long_description=LONG_DESCRIPTION,