Add include_constrained_energies kwarg to map. [ref #255]

OpenBioSim · Oct 29, 2024 · 32f27a4 · 32f27a4
1 parent a5d704f
commit 32f27a4
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/src/sire/mol/__init__.py b/src/sire/mol/__init__.py
@@ -2156,6 +2156,9 @@ def _minimisation(
     if platform is not None:
         map.set("platform", str(platform))
 
+    if include_constrained_energies is not None:
+        map.set("include_constrained_energies", include_constrained_energies)
+
     return Minimisation(
         view,
         cutoff=cutoff,