Merge pull request #1601 from peastman/compoundstatechanged

CompoundIntegrator::stateChanged() calls through to component integrators

openmmapi/include/openmm/CompoundIntegrator.h

@@ -9,7 +9,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2015 Stanford University and the Authors.           *
+ * Portions copyright (c) 2015-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -171,6 +171,16 @@ protected:
      * The implementation returns the union of all kernel names required by all Integrators that have been added.
      */
     std::vector<std::string> getKernelNames();
+    /**
+     * This will be called by the Context when the user modifies aspects of the context state, such
+     * as positions, velocities, or parameters.  This gives the Integrator a chance to discard cached
+     * information.  This is <i>only</i> called when the user modifies information using methods of the Context
+     * object.  It is <i>not</i> called when a ForceImpl object modifies state information in its updateContextState()
+     * method (unless the ForceImpl calls a Context method to perform the modification).
+     * 
+     * @param changed     this specifies what aspect of the Context was changed
+     */
+    void stateChanged(State::DataType changed);
     /**
      * Compute the kinetic energy of the system at the current time.
      * 

openmmapi/src/CompoundIntegrator.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) 2015 Stanford University and the Authors.           *
+ * Portions copyright (c) 2015-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -120,6 +120,11 @@ vector<string> CompoundIntegrator::getKernelNames() {
     return kernels;
 }
 
+void CompoundIntegrator::stateChanged(State::DataType changed) {
+    for (int i = 0; i < integrators.size(); i++)
+        integrators[i]->stateChanged(changed);
+}
+
 double CompoundIntegrator::computeKineticEnergy() {
     return integrators[currentIntegrator]->computeKineticEnergy();
 }