Created default constructor for State

openmmapi/include/openmm/State.h

@@ -57,6 +57,10 @@ public:
      * a State, use these values to specify which data types it should contain.
      */
     enum DataType {Positions=1, Velocities=2, Forces=4, Energy=8, Parameters=16};
+    /**
+     * Construct an empty State containing no data.  This exists so State objects can be used in STL containers.
+     */
+    State();
     /**
      * Get the time for which this State was created.
      */
@@ -95,14 +99,14 @@ public:
     const std::map<std::string, double>& getParameters() const;
 private:
     friend class Context;
-    State(double time, int numParticles, DataType types);
+    State(double time, int numParticles, int types);
     std::vector<Vec3>& updPositions();
     std::vector<Vec3>& updVelocities();
     std::vector<Vec3>& updForces();
     std::map<std::string, double>& updParameters();
     void setEnergy(double ke, double pe);
     void setPeriodicBoxVectors(const Vec3& a, const Vec3& b, const Vec3& c);
-    DataType types;
+    int types;
     double time, ke, pe;
     std::vector<Vec3> positions;
     std::vector<Vec3> velocities;

openmmapi/src/Context.cpp

@@ -78,7 +78,7 @@ Platform& Context::getPlatform() {
 }
 
 State Context::getState(int types) const {
-    State state(impl->getTime(), impl->getSystem().getNumParticles(), State::DataType(types));
+    State state(impl->getTime(), impl->getSystem().getNumParticles(), types);
     Vec3 periodicBoxSize[3];
     impl->getPeriodicBoxVectors(periodicBoxSize[0], periodicBoxSize[1], periodicBoxSize[2]);
     state.setPeriodicBoxVectors(periodicBoxSize[0], periodicBoxSize[1], periodicBoxSize[2]);

openmmapi/src/State.cpp

@@ -73,10 +73,12 @@ const map<string, double>& State::getParameters() const {
         throw OpenMMException("Invoked getParameters() on a State which does not contain parameters.");
     return parameters;
 }
-State::State(double time, int numParticles, DataType types) : types(types), time(time), ke(0), pe(0),
+State::State(double time, int numParticles, int types) : types(types), time(time), ke(0), pe(0),
         positions( (types & Positions) == 0 ? 0 : numParticles), velocities( (types & Velocities) == 0 ? 0 : numParticles),
         forces( (types & Forces) == 0 ? 0 : numParticles) {
 }
+State::State() : types(0), time(0.0), ke(0), pe(0), positions(0), velocities(0), forces(0) {
+}
 vector<Vec3>& State::updPositions() {
     return positions;
 }