Merge pull request #1340 from peastman/amoebagroups

Record force group for AMOEBA forces

plugins/amoeba/serialization/tests/TestSerializeAmoebaVdwForce.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2010 Stanford University and the Authors.           *
+ * Portions copyright (c) 2010-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -45,6 +45,7 @@ void testSerialization() {
     // Create a Force.
 
     AmoebaVdwForce force1;
+    force1.setForceGroup(3);
     force1.setSigmaCombiningRule("GEOMETRIC");
     force1.setEpsilonCombiningRule("GEOMETRIC");
     force1.setCutoff(0.9);
@@ -70,6 +71,7 @@ void testSerialization() {
     // Compare the two forces to see if they are identical.  
     AmoebaVdwForce& force2 = *copy;
 
+    ASSERT_EQUAL(force1.getForceGroup(), force2.getForceGroup());
     ASSERT_EQUAL(force1.getSigmaCombiningRule(),    force2.getSigmaCombiningRule());
     ASSERT_EQUAL(force1.getEpsilonCombiningRule(),  force2.getEpsilonCombiningRule());
     ASSERT_EQUAL(force1.getCutoff(),                force2.getCutoff());

plugins/amoeba/serialization/tests/TestSerializeAmoebaWcaDispersionForce.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2010 Stanford University and the Authors.           *
+ * Portions copyright (c) 2010-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -45,6 +45,7 @@ void testSerialization() {
     // Create a Force.
 
     AmoebaWcaDispersionForce force1;
+    force1.setForceGroup(3);
     force1.setEpso(   1.0);
     force1.setEpsh(   1.1);
     force1.setRmino(  1.2);
@@ -68,6 +69,7 @@ void testSerialization() {
 
     AmoebaWcaDispersionForce& force2 = *copy;
 
+    ASSERT_EQUAL(force1.getForceGroup(), force2.getForceGroup());
     ASSERT_EQUAL(force1.getEpso(),    force2.getEpso());
     ASSERT_EQUAL(force1.getEpsh(),    force2.getEpsh());
     ASSERT_EQUAL(force1.getRmino(),   force2.getRmino());