nerdd-module 0.3.53__tar.gz → 0.3.55__tar.gz

{nerdd_module-0.3.53 → nerdd_module-0.3.55}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: nerdd-module
-Version: 0.3.53
+Version: 0.3.55
 Summary: Base package to create NERDD modules
 Author-email: Steffen Hirte <steffen.hirte@univie.ac.at>
 Maintainer-email: Steffen Hirte <steffen.hirte@univie.ac.at>

{nerdd_module-0.3.53 → nerdd_module-0.3.55}/nerdd_module/model/prediction_step.py

@@ -94,7 +94,9 @@ class PredictionStep(Step):
         # 3. the list of predictions has as many records as the batch (and we assume
         #    that the order of the molecules stayed the same)
         if all("mol_id" in record for record in predictions):
-            pass
+            # convert mol_id to int (or raise an error if it is not possible)
+            for record in predictions:
+                record["mol_id"] = int(record["mol_id"])
         elif all("mol" in record for record in predictions):
             # check that molecule names contain only valid ids
             for record in predictions:
@@ -158,14 +160,8 @@ class PredictionStep(Step):
                 for record in records:
                     sub_id = record.get(sub_id_property)
                     if sub_id is not None:
-                        # check that sub_id is an integer
-                        if not isinstance(sub_id, int):
-                            raise ValueError(
-                                f"The {sub_id_property} must be an integer, but got {sub_id}. "
-                                f"Record: {record}"
-                            )
-
-                        sub_ids.add(sub_id)
+                        # cast sub_id to int (or raise an error if it is not possible)
+                        sub_ids.add(int(sub_id))
 
                 if (
                     len(records) == 1

{nerdd_module-0.3.53 → nerdd_module-0.3.55}/nerdd_module.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: nerdd-module
-Version: 0.3.53
+Version: 0.3.55
 Summary: Base package to create NERDD modules
 Author-email: Steffen Hirte <steffen.hirte@univie.ac.at>
 Maintainer-email: Steffen Hirte <steffen.hirte@univie.ac.at>

{nerdd_module-0.3.53 → nerdd_module-0.3.55}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "nerdd-module"
-version = "0.3.53"
+version = "0.3.55"
 description = "Base package to create NERDD modules"
 readme = "README.md"
 license = "BSD-3-Clause"
@@ -89,6 +89,8 @@ Repository = "https://github.com/molinfo-vienna/nerdd-module"
 # TOOLS
 #
 
+
+
 [tool.setuptools.packages.find]
 where = ["."]
 include = ["nerdd_module*"]