Now cursor.rotate rotates velocities too.

[ref OpenBioSim/sire#120]
OpenBioSim · Nov 13, 2023 · 84660b2 · 84660b2
1 parent c011e22
commit 84660b2
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Showing 2 changed files with 20 additions and 3 deletions.
diff --git a/python/BioSimSpace/Sandpit/Exscientia/_SireWrappers/_system.py b/python/BioSimSpace/Sandpit/Exscientia/_SireWrappers/_system.py
@@ -1228,7 +1228,10 @@ def rotateBoxVectors(
         try:
             prop_name = property_map.get("velocity", "velocity")
             cursor = cursor.rotate(
-                center=center, matrix=rotation_matrix, map={"coordinates": prop_name}
+                center=center,
+                matrix=rotation_matrix,
+                rotate_velocities=False,
+                map={"coordinates": prop_name},
             )
         except:
             pass
@@ -1241,12 +1244,14 @@ def rotateBoxVectors(
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
                 prop_name = property_map.get("coordinates", "coordinates") + "1"
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
             except:
@@ -1258,12 +1263,14 @@ def rotateBoxVectors(
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
                 prop_name = property_map.get("velocity", "velocity") + "1"
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
             except:

diff --git a/python/BioSimSpace/_SireWrappers/_system.py b/python/BioSimSpace/_SireWrappers/_system.py
@@ -1167,7 +1167,10 @@ def rotateBoxVectors(
         try:
             prop_name = property_map.get("coordinates", "coordinates")
             cursor = cursor.rotate(
-                center=center, matrix=rotation_matrix, map={"coordinates": prop_name}
+                center=center,
+                matrix=rotation_matrix,
+                rotate_velocities=False,
+                map={"coordinates": prop_name},
             )
         except:
             pass
@@ -1176,7 +1179,10 @@ def rotateBoxVectors(
         try:
             prop_name = property_map.get("velocity", "velocity")
             cursor = cursor.rotate(
-                center=center, matrix=rotation_matrix, map={"coordinates": prop_name}
+                center=center,
+                matrix=rotation_matrix,
+                rotate_velocities=False,
+                map={"coordinates": prop_name},
             )
         except:
             pass
@@ -1189,12 +1195,14 @@ def rotateBoxVectors(
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
                 prop_name = property_map.get("coordinates", "coordinates") + "1"
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
             except:
@@ -1206,12 +1214,14 @@ def rotateBoxVectors(
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
                 prop_name = property_map.get("velocity", "velocity") + "1"
                 cursor = cursor.rotate(
                     center=center,
                     matrix=rotation_matrix,
+                    rotate_velocities=False,
                     map={"coordinates": prop_name},
                 )
             except: