bump version

compomics · May 2, 2023 · 4bf4d01 · 4bf4d01
1 parent b7baa6c
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Showing 5 changed files with 16 additions and 3 deletions.
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -5,6 +5,11 @@ 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).
 
+## [2.0.2] - 2023-05-02
+
+### Changed
+- bump version
+
 ## [2.0.1] - 2023-05-02
 
 ### Changed

diff --git a/deeplc/__init__.py b/deeplc/__init__.py
@@ -11,3 +11,4 @@
 
 from deeplc.deeplc import DeepLC
 from deeplc.feat_extractor import FeatExtractor
+
diff --git a/deeplc/__main__.py b/deeplc/__main__.py
@@ -85,7 +85,6 @@ def run(
     verbose=True,
 ):
     """Run DeepLC."""
-
     logger.info("Using DeepLC version %s", __version__)
     logger.debug("Using %i CPU threads", n_threads)
 

diff --git a/deeplc/feat_extractor.py b/deeplc/feat_extractor.py
@@ -530,9 +530,17 @@ def rolling_sum(a, n=2):
                     matrix_hc[i, dict_aa[peptide_position[0]]] = 1.
                 except KeyError:
                     pass
+                except IndexError:
+                    # Likely to be a sequence > 60 AA
+                    pass
 
                 if peptide_position[1] is not None:
-                    modification_composition = peptide_position[1][0].composition
+                    try:
+                        modification_composition = peptide_position[1][0].composition
+                    except KeyError:
+                        logger.debug(
+                            "Skipping the following (not in library): ", peptide_position[1])
+                        continue
 
                     for atom_position_composition,atom_change in modification_composition.items():
                         matrix[i, dict_index[atom_position_composition]] += atom_change

diff --git a/setup.py b/setup.py
@@ -6,7 +6,7 @@
 
 setup(
     name='deeplc',
-    version='2.0.1',
+    version='2.0.2',
     license='apache-2.0',
     description='DeepLC: Retention time prediction for (modified) peptides using Deep Learning.',
     long_description=LONG_DESCRIPTION,