Fix serialization and clean up API

openmmapi/include/TensorRTForce.h

@@ -21,10 +21,6 @@ class OPENMM_EXPORT_NN TensorRTForce : public Force {
      * @param file   the path to the file containing the graph
      */
     TensorRTForce(const std::string& file);
-    /**
-     * Get the path to the file containing the graph.
-     */
-    const std::string& getFile() const { return file; }
     /**
      * Get the content of the protocol buffer defining the graph.
      */
@@ -42,7 +38,9 @@ class OPENMM_EXPORT_NN TensorRTForce : public Force {
 protected:
     ForceImpl* createImpl() const;
 private:
-    std::string file;
+    friend class TensorRTForceProxy;
+    TensorRTForce(const std::string& serializedGraph, bool usePeriodic) :
+        serializedGraph(serializedGraph), usePeriodic(usePeriodic) {};
     std::string serializedGraph;
     bool usePeriodic;
 };

openmmapi/src/TensorRTForce.cpp

@@ -7,7 +7,7 @@
 
 using namespace OpenMM;
 
-TensorRTForce::TensorRTForce(const std::string& file): file(file), usePeriodic(false) {
+TensorRTForce::TensorRTForce(const std::string& file): usePeriodic(false) {
 
     // Read the serialized graph from a file
     std::stringstream stream;

serialization/include/TensorRTForceProxy.h

@@ -12,7 +12,7 @@ namespace OpenMM {
 
 class OPENMM_EXPORT_NN TensorRTForceProxy : public SerializationProxy {
 public:
-    TensorRTForceProxy();
+    TensorRTForceProxy() : SerializationProxy("TensorRTForce") {};
     void serialize(const void* object, SerializationNode& node) const;
     void* deserialize(const SerializationNode& node) const;
 };

serialization/src/TensorRTForceProxy.cpp

@@ -4,18 +4,17 @@
 
 using namespace OpenMM;
 
-TensorRTForceProxy::TensorRTForceProxy() : SerializationProxy("TensorRTForce") {
-}
-
 void TensorRTForceProxy::serialize(const void* object, SerializationNode& node) const {
     node.setIntProperty("version", 1);
     const auto& force = *reinterpret_cast<const TensorRTForce*>(object);
-    node.setStringProperty("file", force.getFile());
+    node.setStringProperty("serializedGraph", force.serializedGraph);
+    node.setBoolProperty("usePeriodic", force.usePeriodic);
 }
 
 void* TensorRTForceProxy::deserialize(const SerializationNode& node) const {
     if (node.getIntProperty("version") != 1)
         throw OpenMMException("Unsupported version number");
-    auto force = new TensorRTForce(node.getStringProperty("file"));
-    return force;
+    const auto& serializedGraph = node.getStringProperty("serializedGraph");
+    bool usePeriodic = node.getBoolProperty("usePeriodic");
+    return new TensorRTForce(serializedGraph, usePeriodic);
 }

serialization/tests/TestSerializeTensorRTForce.cpp

@@ -6,7 +6,6 @@
 #include <sstream>
 
 using namespace OpenMM;
-using namespace std;
 
 extern "C" void registerTensorRTSerializationProxies();
 
@@ -17,25 +16,25 @@ void testSerialization() {
 
     // Serialize and then deserialize it.
 
-    stringstream buffer;
+    std::stringstream buffer;
     XmlSerializer::serialize<TensorRTForce>(&force, "Force", buffer);
     TensorRTForce* copy = XmlSerializer::deserialize<TensorRTForce>(buffer);
 
     // Compare the two forces to see if they are identical.
 
     TensorRTForce& force2 = *copy;
-    ASSERT_EQUAL(force.getFile(), force2.getFile());
+    ASSERT_EQUAL(force.getSerializedGraph(), force2.getSerializedGraph());
 }
 
 int main() {
     try {
         registerTensorRTSerializationProxies();
         testSerialization();
     }
-    catch(const exception& e) {
-        cout << "exception: " << e.what() << endl;
+    catch(const std::exception& e) {
+        std::cout << "exception: " << e.what() << std::endl;
         return 1;
     }
-    cout << "Done" << endl;
+    std::cout << "Done" << std::endl;
     return 0;
 }