Merge pull request #147 from MannLabs/development

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MannLabs · Mar 16, 2024 · 8317f47 · 8317f47
2 parents 0bb192c + 1334c39
commit 8317f47
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Showing 18 changed files with 481 additions and 469 deletions.
diff --git a/.bumpversion.cfg b/.bumpversion.cfg
@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 1.1.6
+current_version = 1.1.7
 commit = True
 tag = False
 parse = (?P<major>\d+)\.(?P<minor>\d+)\.(?P<patch>\d+)(\-(?P<release>[a-z]+)(?P<build>\d+))?

diff --git a/docs/conf.py b/docs/conf.py
@@ -23,7 +23,7 @@
 copyright = '2022, Mann Labs, MPIB'
 author = 'Mann Labs, MPIB'
 
-release = "1.1.6"
+release = "1.1.7"
 
 # -- General configuration ---------------------------------------------------
 

diff --git a/peptdeep/__init__.py b/peptdeep/__init__.py
@@ -11,7 +11,7 @@
 # pass
 
 __project__ = "peptdeep"
-__version__ = "1.1.6"
+__version__ = "1.1.7"
 __license__ = "Apache 2.0"
 __description__ = "The AlphaX deep learning framework for Proteomics"
 __author__ = "Mann Labs"

diff --git a/peptdeep/model/ms2.py b/peptdeep/model/ms2.py
@@ -492,6 +492,7 @@ def _set_batch_predict_data(self,
  else:
  update_sliced_fragment_dataframe(
  self.predict_df,
+ self.predict_df.to_numpy(copy=True),
  predicts.reshape(
  (-1, len(self.charged_frag_types))
  ),

diff --git a/peptdeep/spec_lib/predict_lib.py b/peptdeep/spec_lib/predict_lib.py
@@ -116,7 +116,7 @@ def predict_all(self,
  )
  else:
  self._precursor_df = calc_precursor_isotope_mp(
- self._precursor_df, process_bar=process_bar
+ self._precursor_df, progress_bar=process_bar
  )
  if self.model_manager.verbose:
  logging.info(f'Predicting RT/IM/MS2 for {len(self._precursor_df)} precursors ...')