Remove the parameters property before creating a partial molecule.

[ref OpenBioSim/sire#183]
OpenBioSim · Apr 8, 2024 · f1fb052 · f1fb052
1 parent 044ad4a
commit f1fb052
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Showing 2 changed files with 12 additions and 0 deletions.
diff --git a/python/BioSimSpace/Align/_merge.py b/python/BioSimSpace/Align/_merge.py
@@ -1417,6 +1417,12 @@ def _removeDummies(molecule, is_lambda1):
         is_lambda1=is_lambda1, generate_intrascale=True
     )
 
+    # Remove the parameters property, if it exists.
+    if "parameters" in molecule._sire_object.propertyKeys():
+        molecule._sire_object = (
+            molecule._sire_object.edit().removeProperty("parameters").commit()
+        )
+
     # Set the coordinates to those at lambda = 0
     molecule._sire_object = (
         molecule._sire_object.edit().setProperty("coordinates", coordinates).commit()

diff --git a/python/BioSimSpace/Sandpit/Exscientia/Align/_merge.py b/python/BioSimSpace/Sandpit/Exscientia/Align/_merge.py
@@ -1561,6 +1561,12 @@ def _removeDummies(molecule, is_lambda1):
         is_lambda1=is_lambda1, generate_intrascale=True
     )
 
+    # Remove the parameters property, if it exists.
+    if "parameters" in molecule._sire_object.propertyKeys():
+        molecule._sire_object = (
+            molecule._sire_object.edit().removeProperty("parameters").commit()
+        )
+
     # Set the coordinates to those at lambda = 0
     molecule._sire_object = (
         molecule._sire_object.edit().setProperty("coordinates", coordinates).commit()