Fixed more destructor order errors

openmmapi/include/openmm/BrownianIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -116,6 +116,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/include/openmm/CustomIntegrator.h

@@ -408,6 +408,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * When the user modifies the state, we need to mark that the forces need to be recalculated.
      */

openmmapi/include/openmm/Integrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -99,6 +99,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     virtual void initialize(ContextImpl& context) = 0;
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    virtual void cleanup() = 0;
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/include/openmm/LangevinIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -116,6 +116,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/include/openmm/VariableLangevinIntegrator.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) 2008-2009 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -147,6 +147,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/include/openmm/VariableVerletIntegrator.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) 2008-2009 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -100,6 +100,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/include/openmm/VerletIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -63,6 +63,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * Get the names of all Kernels used by this Integrator.
      */

openmmapi/src/BrownianIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -58,6 +58,10 @@ void BrownianIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateBrownianStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void BrownianIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 vector<string> BrownianIntegrator::getKernelNames() {
     std::vector<std::string> names;
     names.push_back(IntegrateBrownianStepKernel::Name());

openmmapi/src/ContextImpl.cpp

@@ -126,6 +126,7 @@ ContextImpl::~ContextImpl() {
     updateStateDataKernel = Kernel();
     applyConstraintsKernel = Kernel();
     virtualSitesKernel = Kernel();
+    integrator.cleanup();
     platform->contextDestroyed(*this);
 }
 

openmmapi/src/CustomIntegrator.cpp

@@ -63,6 +63,10 @@ void CustomIntegrator::initialize(ContextImpl& contextRef) {
     }
 }
 
+void CustomIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 void CustomIntegrator::stateChanged(State::DataType changed) {
     forcesAreValid = false;
 }

openmmapi/src/LangevinIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -58,6 +58,10 @@ void LangevinIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateLangevinStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void LangevinIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 vector<string> LangevinIntegrator::getKernelNames() {
     std::vector<std::string> names;
     names.push_back(IntegrateLangevinStepKernel::Name());

openmmapi/src/VariableLangevinIntegrator.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) 2008-2009 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -59,6 +59,10 @@ void VariableLangevinIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateVariableLangevinStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void VariableLangevinIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 vector<string> VariableLangevinIntegrator::getKernelNames() {
     std::vector<std::string> names;
     names.push_back(IntegrateVariableLangevinStepKernel::Name());

openmmapi/src/VariableVerletIntegrator.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) 2008-2009 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -54,6 +54,10 @@ void VariableVerletIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateVariableVerletStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void VariableVerletIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 vector<string> VariableVerletIntegrator::getKernelNames() {
     std::vector<std::string> names;
     names.push_back(IntegrateVariableVerletStepKernel::Name());

openmmapi/src/VerletIntegrator.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) 2008 Stanford University and the Authors.           *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -54,6 +54,10 @@ void VerletIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateVerletStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void VerletIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 vector<string> VerletIntegrator::getKernelNames() {
     std::vector<std::string> names;
     names.push_back(IntegrateVerletStepKernel::Name());

plugins/rpmd/openmmapi/include/openmm/RPMDIntegrator.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) 2008-2011 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -162,6 +162,11 @@ protected:
      * It will also get called again if the application calls reinitialize() on the Context.
      */
     void initialize(ContextImpl& context);
+    /**
+     * This will be called by the Context when it is destroyed to let the Integrator do any necessary
+     * cleanup.  It will also get called again if the application calls reinitialize() on the Context.
+     */
+    void cleanup();
     /**
      * When the user modifies the state, we need to mark that the forces need to be recalculated.
      */

plugins/rpmd/openmmapi/src/RPMDIntegrator.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) 2008-2011 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2012 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -61,6 +61,10 @@ void RPMDIntegrator::initialize(ContextImpl& contextRef) {
     kernel.getAs<IntegrateRPMDStepKernel>().initialize(contextRef.getSystem(), *this);
 }
 
+void RPMDIntegrator::cleanup() {
+    kernel = Kernel();
+}
+
 void RPMDIntegrator::stateChanged(State::DataType changed) {
     forcesAreValid = false;
 }