From 968de8548c1aca6782a465578c0297783a87d3ce Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 5 Jun 2017 13:06:53 -0400
Subject: [PATCH] apply test for overlap with rigid bodies to set and velocity
 command

---
 src/set.cpp      | 22 ++++++++++++++++++++++
 src/velocity.cpp |  6 ++++++
 2 files changed, 28 insertions(+)

diff --git a/src/set.cpp b/src/set.cpp
index 4ed07d423b..629f325d35 100644
--- a/src/set.cpp
+++ b/src/set.cpp
@@ -585,6 +585,28 @@ void Set::set(int keyword)
     }
   }
 
+  // check if properties of atoms in rigid bodies are updated
+  // that are cached as per-body data.
+  switch (keyword) {
+  case X:
+  case Y:
+  case Z:
+  case MOLECULE:
+  case MASS:
+  case ANGMOM:
+  case SHAPE:
+  case DIAMETER:
+  case DENSITY:
+  case QUAT:
+  case IMAGE:
+    if (modify->check_rigid_list_overlap(select))
+      error->warning(FLERR,"Changing a property of atoms in rigid bodies "
+                     "that has no effect unless rigid bodies are rebuild");
+    break;
+  default: // assume no conflict for all other properties
+    break;
+  }
+
   // loop over selected atoms
 
   AtomVecEllipsoid *avec_ellipsoid =
diff --git a/src/velocity.cpp b/src/velocity.cpp
index 82b6efbe1b..260a11bb4e 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -68,6 +68,12 @@ void Velocity::command(int narg, char **arg)
   if (igroup == -1) error->all(FLERR,"Could not find velocity group ID");
   groupbit = group->bitmask[igroup];
 
+  // check if velocities of atoms in rigid bodies are updated
+
+  if (modify->check_rigid_group_overlap(groupbit))
+    error->warning(FLERR,"Changing velocities of atoms in rigid bodies. "
+                     "This has no effect unless rigid bodies are rebuild");
+
   // identify style
 
   if (strcmp(arg[1],"create") == 0) style = CREATE;