Merge pull request #34 from mmzdouc/dev_mmz

v0.3.3

Author: mmzdouc

CHANGELOG.md

@@ -10,6 +10,12 @@ This project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.htm
 
 N/A
 
+## [0.3.3] 06-06-2024
+
+### Fixed
+
+- Added exception for fail of Sample Scores calculation in case of lack of spectral similarity networking data (e.g. no MS/MS data provided)
+
 ## [0.3.2] 05-06-2024
 
 ### Fixed

fermo_core/data_analysis/score_assigner/class_score_assigner.py

@@ -96,7 +96,7 @@ def collect_sample_spec_networks(self: Self):
             RuntimeError: no networks detected
         """
         if self.stats.networks is None or len(self.stats.networks) == 0:
-            RuntimeError(
+            raise RuntimeError(
                 "'ScoreAssigner': no networks detected - cannot assign Sample "
                 "scores - SKIP"
             )
@@ -124,7 +124,15 @@ def collect_sample_spec_networks(self: Self):
 
     def assign_sample_scores(self: Self):
         """Assign scores to sample objects"""
-        self.collect_sample_spec_networks()
+        try:
+            self.collect_sample_spec_networks()
+        except Exception as e:
+            logger.warning(str(e))
+            logger.warning(
+                "'ScoreAssigner': Could not assign sample score, possibly due "
+                "lack of spectral networking information - SKIP"
+            )
+            return
 
         for s_id in self.stats.samples:
             sample = self.samples.get(s_id)

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "fermo_core"
-version = "0.3.2"
+version = "0.3.3"
 description = "Data processing/analysis functionality of metabolomics dashboard FERMO"
 readme = "README.md"
 requires-python = ">=3.11,<3.12"