Added name property to Forces (#3049)

serialization/src/RMSDForceProxy.cpp

@@ -45,6 +45,7 @@ void RMSDForceProxy::serialize(const void* object, SerializationNode& node) cons
     node.setIntProperty("version", 0);
     const RMSDForce& force = *reinterpret_cast<const RMSDForce*>(object);
     node.setIntProperty("forceGroup", force.getForceGroup());
+    node.setStringProperty("name", force.getName());
     SerializationNode& positionsNode = node.createChildNode("ReferencePositions");
     for (const Vec3& pos : force.getReferencePositions())
        positionsNode.createChildNode("Position").setDoubleProperty("x", pos[0]).setDoubleProperty("y", pos[1]).setDoubleProperty("z", pos[2]);
@@ -67,6 +68,7 @@ void* RMSDForceProxy::deserialize(const SerializationNode& node) const {
             particles.push_back(particle.getIntProperty("index"));
         force = new RMSDForce(positions, particles);
         force->setForceGroup(node.getIntProperty("forceGroup", 0));
+        force->setName(node.getStringProperty("name", force->getName()));
         return force;
     }
     catch (...) {

serialization/tests/TestSerializeAndersenThermostat.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     AndersenThermostat force(250.0, 0.2);
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setRandomNumberSeed(3);
 
     // Serialize and then deserialize it.
@@ -55,6 +56,7 @@ void testSerialization() {
 
     AndersenThermostat& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getDefaultTemperature(), force2.getDefaultTemperature());
     ASSERT_EQUAL(force.getDefaultCollisionFrequency(), force2.getDefaultCollisionFrequency());
     ASSERT_EQUAL(force.getRandomNumberSeed(), force2.getRandomNumberSeed());

serialization/tests/TestSerializeCMAPTorsion.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CMAPTorsionForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     vector<double> map1(9);
     for (int i = 0; i < 9; i++)
         map1[i] = 0.1*i;
@@ -67,6 +68,7 @@ void testSerialization() {
 
     CMAPTorsionForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.usesPeriodicBoundaryConditions(), force2.usesPeriodicBoundaryConditions());
     ASSERT_EQUAL(force.getNumMaps(), force2.getNumMaps());
     for (int i = 0; i < force.getNumMaps(); i++) {

serialization/tests/TestSerializeCMMotionRemover.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CMMotionRemover force(5);
     force.setForceGroup(3);
+    force.setName("custom name");
 
     // Serialize and then deserialize it.
 
@@ -54,6 +55,7 @@ void testSerialization() {
 
     CMMotionRemover& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getFrequency(), force2.getFrequency());
 }
 

serialization/tests/TestSerializeCustomAngleForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomAngleForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerAngleParameter("z");
@@ -66,6 +67,7 @@ void testSerialization() {
 
     CustomAngleForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerAngleParameters(), force2.getNumPerAngleParameters());
     for (int i = 0; i < force.getNumPerAngleParameters(); i++)

serialization/tests/TestSerializeCustomBondForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomBondForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerBondParameter("z");
@@ -66,6 +67,7 @@ void testSerialization() {
 
     CustomBondForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerBondParameters(), force2.getNumPerBondParameters());
     for (int i = 0; i < force.getNumPerBondParameters(); i++)

serialization/tests/TestSerializeCustomCVForce.cpp

@@ -45,6 +45,7 @@ void testSerialization() {
 
     CustomCVForce force("2*v1+v2");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addEnergyParameterDerivative("y");
@@ -69,6 +70,7 @@ void testSerialization() {
 
     CustomCVForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumGlobalParameters(), force2.getNumGlobalParameters());
     for (int i = 0; i < force.getNumGlobalParameters(); i++) {

serialization/tests/TestSerializeCustomCentroidBondForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomCentroidBondForce force(3, "5*sin(distance(g1,g2))^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerBondParameter("z");
@@ -90,6 +91,7 @@ void testSerialization() {
 
     CustomCentroidBondForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNumGroupsPerBond(), force2.getNumGroupsPerBond());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerBondParameters(), force2.getNumPerBondParameters());

serialization/tests/TestSerializeCustomCompoundBondForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomCompoundBondForce force(3, "5*sin(distance(p1,p2))^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerBondParameter("z");
@@ -80,6 +81,7 @@ void testSerialization() {
 
     CustomCompoundBondForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNumParticlesPerBond(), force2.getNumParticlesPerBond());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerBondParameters(), force2.getNumPerBondParameters());

serialization/tests/TestSerializeCustomExternalForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomExternalForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerParticleParameter("z");
@@ -64,6 +65,7 @@ void testSerialization() {
 
     CustomExternalForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerParticleParameters(), force2.getNumPerParticleParameters());
     for (int i = 0; i < force.getNumPerParticleParameters(); i++)

serialization/tests/TestSerializeCustomGBForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomGBForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(CustomGBForce::CutoffPeriodic);
     force.setCutoffDistance(2.1);
     force.addGlobalParameter("x", 1.3);
@@ -77,6 +78,7 @@ void testSerialization() {
 
     CustomGBForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());
     ASSERT_EQUAL(force.getCutoffDistance(), force2.getCutoffDistance());
     ASSERT_EQUAL(force.getNumPerParticleParameters(), force2.getNumPerParticleParameters());

serialization/tests/TestSerializeCustomHbondForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomHbondForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(CustomHbondForce::CutoffPeriodic);
     force.setCutoffDistance(2.1);
     force.addGlobalParameter("x", 1.3);
@@ -79,6 +80,7 @@ void testSerialization() {
 
     CustomHbondForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());
     ASSERT_EQUAL(force.getCutoffDistance(), force2.getCutoffDistance());

serialization/tests/TestSerializeCustomManyParticleForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomManyParticleForce force(3, "C*(a1+a2+a3)*(distance(p1,p2)+distance(p1,p3))");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(CustomManyParticleForce::CutoffPeriodic);
     force.setPermutationMode(CustomManyParticleForce::UniqueCentralParticle);
     force.setCutoffDistance(2.1);
@@ -78,6 +79,7 @@ void testSerialization() {
 
     CustomManyParticleForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNumParticlesPerSet(), force2.getNumParticlesPerSet());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());

serialization/tests/TestSerializeCustomNonbondedForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomNonbondedForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(CustomNonbondedForce::CutoffPeriodic);
     force.setUseSwitchingFunction(true);
     force.setUseLongRangeCorrection(true);
@@ -81,6 +82,7 @@ void testSerialization() {
 
     CustomNonbondedForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());
     ASSERT_EQUAL(force.getCutoffDistance(), force2.getCutoffDistance());

serialization/tests/TestSerializeCustomTorsionForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     CustomTorsionForce force("5*sin(x)^2+y*z");
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addGlobalParameter("x", 1.3);
     force.addGlobalParameter("y", 2.221);
     force.addPerTorsionParameter("z");
@@ -66,6 +67,7 @@ void testSerialization() {
 
     CustomTorsionForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getEnergyFunction(), force2.getEnergyFunction());
     ASSERT_EQUAL(force.getNumPerTorsionParameters(), force2.getNumPerTorsionParameters());
     for (int i = 0; i < force.getNumPerTorsionParameters(); i++)

serialization/tests/TestSerializeGBSAOBCForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     GBSAOBCForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(GBSAOBCForce::CutoffPeriodic);
     force.setCutoffDistance(2.0);
     force.setSoluteDielectric(5.1);
@@ -62,6 +63,7 @@ void testSerialization() {
 
     GBSAOBCForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());
     ASSERT_EQUAL(force.getCutoffDistance(), force2.getCutoffDistance());
     ASSERT_EQUAL(force.getSoluteDielectric(), force2.getSoluteDielectric());

serialization/tests/TestSerializeGayBerneForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     GayBerneForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setNonbondedMethod(GayBerneForce::CutoffPeriodic);
     force.setSwitchingDistance(1.5);
     force.setUseSwitchingFunction(true);
@@ -63,6 +64,7 @@ void testSerialization() {
 
     GayBerneForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.getNonbondedMethod(), force2.getNonbondedMethod());
     ASSERT_EQUAL(force.getSwitchingDistance(), force2.getSwitchingDistance());
     ASSERT_EQUAL(force.getUseSwitchingFunction(), force2.getUseSwitchingFunction());

serialization/tests/TestSerializeHarmonicAngleForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     HarmonicAngleForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addAngle(0, 1, 2, 1.0, 2.0);
     force.addAngle(0, 2, 3, 2.0, 2.1);
     force.addAngle(2, 3, 4, 3.0, 2.2);
@@ -59,6 +60,7 @@ void testSerialization() {
 
     HarmonicAngleForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.usesPeriodicBoundaryConditions(), force2.usesPeriodicBoundaryConditions());
     ASSERT_EQUAL(force.getNumAngles(), force2.getNumAngles());
     for (int i = 0; i < force.getNumAngles(); i++) {

serialization/tests/TestSerializeHarmonicBondForce.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     HarmonicBondForce force;
     force.setForceGroup(3);
+    force.setName("custom name");
     force.addBond(0, 1, 1.0, 2.0);
     force.addBond(0, 2, 2.0, 2.1);
     force.addBond(2, 3, 3.0, 2.2);
@@ -59,6 +60,7 @@ void testSerialization() {
 
     HarmonicBondForce& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL(force.usesPeriodicBoundaryConditions(), force2.usesPeriodicBoundaryConditions());
     ASSERT_EQUAL(force.getNumBonds(), force2.getNumBonds());
     for (int i = 0; i < force.getNumBonds(); i++) {

serialization/tests/TestSerializeMonteCarloAnisotropicBarostat.cpp

@@ -43,6 +43,7 @@ void testSerialization() {
 
     MonteCarloAnisotropicBarostat force(Vec3(15.1, 18.2, 19.3), 250.0, true, false, true, 14);
     force.setForceGroup(3);
+    force.setName("custom name");
     force.setRandomNumberSeed(3);
 
     // Serialize and then deserialize it.
@@ -55,6 +56,7 @@ void testSerialization() {
 
     MonteCarloAnisotropicBarostat& force2 = *copy;
     ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup());
+    ASSERT_EQUAL(force.getName(), force2.getName());
     ASSERT_EQUAL_VEC(force.getDefaultPressure(), force2.getDefaultPressure(), 0.0);
     ASSERT_EQUAL(force.getDefaultTemperature(), force2.getDefaultTemperature());
     ASSERT_EQUAL(force.getScaleX(), force2.getScaleX());