Merge pull request #1608 from kyleabeauchamp/intser

Add support for customIntegrator serialization and test

serialization/src/CustomIntegratorProxy.cpp

@@ -107,6 +107,12 @@ void* CustomIntegratorProxy::deserialize(const SerializationNode& node) const {
             integrator->addConstrainVelocities();
         } else if(computationType == CustomIntegrator::UpdateContextState) {
             integrator->addUpdateContextState();
+        } else if(computationType == CustomIntegrator::IfBlockStart) {
+            integrator->beginIfBlock(cit->getStringProperty("computationExpression"));
+        } else if(computationType == CustomIntegrator::WhileBlockStart) {
+                  integrator->beginWhileBlock(cit->getStringProperty("computationExpression"));
+        } else if(computationType == CustomIntegrator::BlockEnd) {
+                  integrator->endBlock();
         } else {
             throw(OpenMMException("Custom Integrator Deserialization: Unknown computation type"));
         }
@@ -115,4 +121,4 @@ void* CustomIntegratorProxy::deserialize(const SerializationNode& node) const {
     integrator->setRandomNumberSeed(node.getIntProperty("randomSeed"));
     integrator->setConstraintTolerance(node.getDoubleProperty("constraintTolerance"));
     return integrator;
-}
\ No newline at end of file
+}

serialization/tests/TestSerializeIntegrator.cpp

@@ -137,12 +137,20 @@ void testSerializeCustomIntegrator() {
     intg->addGlobalVariable("oute", 0);
     intg->addGlobalVariable("oute1", 0);
     intg->addGlobalVariable("oute2", 0);
+    intg->addGlobalVariable("oute3_conditional_v1", 0);// HACK: need addGlobals to be alphabetical to work around bug
+    intg->addGlobalVariable("oute3_conditional_v2", 0);
     intg->addComputePerDof("outf", "f");
     intg->addComputePerDof("outf1", "f1");
     intg->addComputePerDof("outf2", "f2");
     intg->addComputeGlobal("oute", "energy");
     intg->addComputeGlobal("oute1", "energy1");
     intg->addComputeGlobal("oute2", "energy2");
+    intg->beginIfBlock("1 > 0");
+    intg->addComputeGlobal("oute3_conditional_v1", "energy");
+    intg->endBlock();
+    intg->beginWhileBlock("0 > 1");
+    intg->addComputeGlobal("oute3_conditional_v2", "energy");
+    intg->endBlock();
     intg->addUpdateContextState();
     intg->addConstrainVelocities();
     intg->addComputeSum("summand2", "v*v+f*f");
@@ -216,13 +224,13 @@ int main() {
         testSerializeVerletIntegrator();
         testSerializeVariableLangevinIntegrator();
         testSerializeVariableVerletIntegrator();
-        testSerializeLangevinIntegrator(); 
+        testSerializeLangevinIntegrator();
         testSerializeCompoundIntegrator();
     }
     catch(const exception& e) {
-		return 1;
+        cout << "exception: " << e.what() << endl;
+        return 1;
     }
+    cout << "Done" << endl;
     return 0;
 }
-
-