Unified names of platform properties

examples/benchmark.py

@@ -82,17 +82,12 @@ def runOneTest(testName, options):
     properties = {}
     initialSteps = 5
     if options.device is not None:
-        if platform.getName() == 'CUDA':
-            properties['CudaDeviceIndex'] = options.device
-        elif platform.getName() == 'OpenCL':
-            properties['OpenCLDeviceIndex'] = options.device
+        if platform.getName() in ('CUDA', 'OpenCL'):
+            properties['DeviceIndex'] = options.device
         if ',' in options.device or ' ' in options.device:
             initialSteps = 250
-    if options.precision is not None:
-        if platform.getName() == 'CUDA':
-            properties['CudaPrecision'] = options.precision
-        elif platform.getName() == 'OpenCL':
-            properties['OpenCLPrecision'] = options.precision
+    if options.precision is not None and platform.getName() in ('CUDA', 'OpenCL'):
+        properties['Precision'] = options.precision
     
     # Run the simulation.
     

olla/include/openmm/Platform.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) 2008-2012 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -236,7 +236,9 @@ protected:
      */
     const ContextImpl& getContextImpl(const Context& context) const;
     std::vector<std::string> platformProperties;
+    std::map<std::string, std::string> deprecatedPropertyReplacements;
 private:
+    friend class ContextImpl;
     std::map<std::string, KernelFactory*> kernelFactories;
     std::map<std::string, std::string> defaultProperties;
     static std::vector<Platform*>& getPlatforms();

olla/src/Platform.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) 2008-2012 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -89,15 +89,21 @@ void Platform::setPropertyValue(Context& context, const string& property, const
 }
 
 const string& Platform::getPropertyDefaultValue(const string& property) const {
-    map<string, string>::const_iterator value = defaultProperties.find(property);
+    string propertyName = property;
+    if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
+        propertyName = deprecatedPropertyReplacements.find(property)->second;
+    map<string, string>::const_iterator value = defaultProperties.find(propertyName);
     if (value == defaultProperties.end())
         throw OpenMMException("getPropertyDefaultValue: Illegal property name");
     return value->second;
 }
 
 void Platform::setPropertyDefaultValue(const string& property, const string& value) {
+    string propertyName = property;
+    if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
+        propertyName = deprecatedPropertyReplacements.find(property)->second;
     for (int i = 0; i < (int) platformProperties.size(); i++)
-        if (platformProperties[i] == property) {
+        if (platformProperties[i] == propertyName) {
             defaultProperties[property] = value;
             return;
         }

openmmapi/src/ContextImpl.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) 2008-2013 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -84,15 +84,20 @@ ContextImpl::ContextImpl(Context& owner, const System& system, Integrator& integ
     // Validate the list of properties.
 
     const vector<string>& platformProperties = platform->getPropertyNames();
+    map<string, string> validatedProperties;
     for (map<string, string>::const_iterator iter = properties.begin(); iter != properties.end(); ++iter) {
+        string property = iter->first;
+        if (platform->deprecatedPropertyReplacements.find(property) != platform->deprecatedPropertyReplacements.end())
+            property = platform->deprecatedPropertyReplacements[property];
         bool valid = false;
         for (int i = 0; i < (int) platformProperties.size(); i++)
-            if (platformProperties[i] == iter->first) {
+            if (platformProperties[i] == property) {
                 valid = true;
                 break;
             }
         if (!valid)
             throw OpenMMException("Illegal property name: "+iter->first);
+        validatedProperties[property] = iter->second;
     }
     
     // Find the list of kernels required.
@@ -139,7 +144,7 @@ ContextImpl::ContextImpl(Context& owner, const System& system, Integrator& integ
     for (int i = candidatePlatforms.size()-1; i >= 0; i--) {
         try {
             this->platform = platform = candidatePlatforms[i].second;
-            platform->contextCreated(*this, properties);
+            platform->contextCreated(*this, validatedProperties);
             break;
         }
         catch (...) {

platforms/cpu/include/CpuPlatform.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) 2013 Stanford University and the Authors.           *
+ * Portions copyright (c) 2013-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -64,7 +64,7 @@ public:
      * This is the name of the parameter for selecting the number of threads to use.
      */
     static const std::string& CpuThreads() {
-        static const std::string key = "CpuThreads";
+        static const std::string key = "Threads";
         return key;
     }
     /**

platforms/cpu/src/CpuPlatform.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) 2013-2014 Stanford University and the Authors.      *
+ * Portions copyright (c) 2013-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -59,6 +59,7 @@ extern "C" OPENMM_EXPORT_CPU void registerPlatforms() {
 map<const ContextImpl*, CpuPlatform::PlatformData*> CpuPlatform::contextData;
 
 CpuPlatform::CpuPlatform() {
+    deprecatedPropertyReplacements["CpuThreads"] = "Threads";
     CpuKernelFactory* factory = new CpuKernelFactory();
     registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
     registerKernelFactory(CalcHarmonicAngleForceKernel::Name(), factory);
@@ -83,7 +84,10 @@ CpuPlatform::CpuPlatform() {
 const string& CpuPlatform::getPropertyValue(const Context& context, const string& property) const {
     const ContextImpl& impl = getContextImpl(context);
     const PlatformData& data = getPlatformData(impl);
-    map<string, string>::const_iterator value = data.propertyValues.find(property);
+    string propertyName = property;
+    if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
+        propertyName = deprecatedPropertyReplacements.find(property)->second;
+    map<string, string>::const_iterator value = data.propertyValues.find(propertyName);
     if (value != data.propertyValues.end())
         return value->second;
     return ReferencePlatform::getPropertyValue(context, property);

platforms/cuda/include/CudaPlatform.h

@@ -58,35 +58,35 @@ public:
      * This is the name of the parameter for selecting which CUDA device or devices to use.
      */
     static const std::string& CudaDeviceIndex() {
-        static const std::string key = "CudaDeviceIndex";
+        static const std::string key = "DeviceIndex";
         return key;
     }
     /**
      * This is the name of the parameter that reports the CUDA device or devices being used.
      */
     static const std::string& CudaDeviceName() {
-        static const std::string key = "CudaDeviceName";
+        static const std::string key = "DeviceName";
         return key;
     }
     /**
      * This is the name of the parameter for selecting whether CUDA should sync or spin loop while waiting for results.
      */
     static const std::string& CudaUseBlockingSync() {
-        static const std::string key = "CudaUseBlockingSync";
+        static const std::string key = "UseBlockingSync";
         return key;
     }
     /**
      * This is the name of the parameter for selecting what numerical precision to use.
      */
     static const std::string& CudaPrecision() {
-        static const std::string key = "CudaPrecision";
+        static const std::string key = "Precision";
         return key;
     }
     /**
      * This is the name of the parameter for selecting whether to use the CPU based PME calculation.
      */
     static const std::string& CudaUseCpuPme() {
-        static const std::string key = "CudaUseCpuPme";
+        static const std::string key = "UseCpuPme";
         return key;
     }
     /**
@@ -107,21 +107,21 @@ public:
      * This is the name of the parameter for specifying the path to the directory for creating temporary files.
      */
     static const std::string& CudaTempDirectory() {
-        static const std::string key = "CudaTempDirectory";
+        static const std::string key = "TempDirectory";
         return key;
     }
     /**
      * This is the name of the parameter for selecting whether to disable use of a separate stream for PME.
      */
     static const std::string& CudaDisablePmeStream() {
-        static const std::string key = "CudaDisablePmeStream";
+        static const std::string key = "DisablePmeStream";
         return key;
     }
     /**
      * This is the name of the parameter for requesting that force computations be fully deterministic.
      */
     static const std::string& CudaDeterministicForces() {
-        static const std::string key = "CudaDeterministicForces";
+        static const std::string key = "DeterministicForces";
         return key;
     }
 };

platforms/cuda/src/CudaContext.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) 2009-2015 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2016 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -106,7 +106,7 @@ CudaContext::CudaContext(const System& system, int deviceIndex, bool useBlocking
         useMixedPrecision = false;
     }
     else
-        throw OpenMMException("Illegal value for CudaPrecision: "+precision);
+        throw OpenMMException("Illegal value for Precision: "+precision);
     char* cacheVariable = getenv("OPENMM_CACHE_DIR");
     cacheDir = (cacheVariable == NULL ? tempDir : string(cacheVariable));
 #ifdef WIN32
@@ -121,7 +121,7 @@ CudaContext::CudaContext(const System& system, int deviceIndex, bool useBlocking
     string errorMessage = "Error initializing Context";
     CHECK_RESULT(cuDeviceGetCount(&numDevices));
     if (deviceIndex < -1 || deviceIndex >= numDevices)
-        throw OpenMMException("Illegal value for CudaDeviceIndex: "+intToString(deviceIndex));
+        throw OpenMMException("Illegal value for DeviceIndex: "+intToString(deviceIndex));
 
     vector<int> devicePrecedence;
     if (deviceIndex == -1) {

platforms/cuda/src/CudaPlatform.cpp

@@ -62,6 +62,14 @@ extern "C" OPENMM_EXPORT_CUDA void registerPlatforms() {
 #endif
 
 CudaPlatform::CudaPlatform() {
+    deprecatedPropertyReplacements["CudaDeviceIndex"] = "DeviceIndex";
+    deprecatedPropertyReplacements["CudaDeviceName"] = "DeviceName";
+    deprecatedPropertyReplacements["CudaUseBlockingSync"] = "UseBlockingSync";
+    deprecatedPropertyReplacements["CudaPrecision"] = "Precision";
+    deprecatedPropertyReplacements["CudaUseCpuPme"] = "UseCpuPme";
+    deprecatedPropertyReplacements["CudaTempDirectory"] = "TempDirectory";
+    deprecatedPropertyReplacements["CudaDisablePmeStream"] = "DisablePmeStream";
+    deprecatedPropertyReplacements["CudaDeterministicForces"] = "DeterministicForces";
     CudaKernelFactory* factory = new CudaKernelFactory();
     registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
     registerKernelFactory(UpdateStateDataKernel::Name(), factory);
@@ -144,7 +152,10 @@ bool CudaPlatform::supportsDoublePrecision() const {
 const string& CudaPlatform::getPropertyValue(const Context& context, const string& property) const {
     const ContextImpl& impl = getContextImpl(context);
     const PlatformData* data = reinterpret_cast<const PlatformData*>(impl.getPlatformData());
-    map<string, string>::const_iterator value = data->propertyValues.find(property);
+    string propertyName = property;
+    if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
+        propertyName = deprecatedPropertyReplacements.find(property)->second;
+    map<string, string>::const_iterator value = data->propertyValues.find(propertyName);
     if (value != data->propertyValues.end())
         return value->second;
     return Platform::getPropertyValue(context, property);

platforms/cuda/tests/CudaTests.h

@@ -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:                                                              *
  *                                                                            *
@@ -39,5 +39,5 @@ OpenMM::CudaPlatform platform;
 
 void initializeTests(int argc, char* argv[]) {
     if (argc > 1)
-        platform.setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+        platform.setPropertyDefaultValue("Precision", std::string(argv[1]));
 }

platforms/opencl/include/OpenCLPlatform.h

@@ -58,14 +58,14 @@ public:
      * This is the name of the parameter for selecting which OpenCL device or devices to use.
      */
     static const std::string& OpenCLDeviceIndex() {
-        static const std::string key = "OpenCLDeviceIndex";
+        static const std::string key = "DeviceIndex";
         return key;
     }
     /**
      * This is the name of the parameter that reports the OpenCL device or devices being used.
      */
     static const std::string& OpenCLDeviceName() {
-        static const std::string key = "OpenCLDeviceName";
+        static const std::string key = "DeviceName";
         return key;
     }
     /**
@@ -86,21 +86,21 @@ public:
      * This is the name of the parameter for selecting what numerical precision to use.
      */
     static const std::string& OpenCLPrecision() {
-        static const std::string key = "OpenCLPrecision";
+        static const std::string key = "Precision";
         return key;
     }
     /**
      * This is the name of the parameter for selecting whether to use the CPU based PME calculation.
      */
     static const std::string& OpenCLUseCpuPme() {
-        static const std::string key = "OpenCLUseCpuPme";
+        static const std::string key = "UseCpuPme";
         return key;
     }
     /**
      * This is the name of the parameter for selecting whether to disable use of a separate stream for PME.
      */
     static const std::string& OpenCLDisablePmeStream() {
-        static const std::string key = "OpenCLDisablePmeStream";
+        static const std::string key = "DisablePmeStream";
         return key;
     }
 };

platforms/opencl/src/OpenCLContext.cpp

@@ -84,7 +84,7 @@ OpenCLContext::OpenCLContext(const System& system, int platformIndex, int device
         useMixedPrecision = false;
     }
     else
-        throw OpenMMException("Illegal value for OpenCLPrecision: "+precision);
+        throw OpenMMException("Illegal value for Precision: "+precision);
     try {
         contextIndex = platformData.contexts.size();
         std::vector<cl::Platform> platforms;
@@ -105,7 +105,7 @@ OpenCLContext::OpenCLContext(const System& system, int platformIndex, int device
             vector<cl::Device> devices;
             platforms[j].getDevices(CL_DEVICE_TYPE_ALL, &devices);
             if (deviceIndex < -1 || deviceIndex >= (int) devices.size())
-                throw OpenMMException("Illegal value for OpenCLDeviceIndex: "+intToString(deviceIndex));
+                throw OpenMMException("Illegal value for DeviceIndex: "+intToString(deviceIndex));
 
             for (int i = 0; i < (int) devices.size(); i++) {
                 // If they supplied a valid deviceIndex, we only look through that one

platforms/opencl/src/OpenCLPlatform.cpp

@@ -56,6 +56,11 @@ extern "C" OPENMM_EXPORT_OPENCL void registerPlatforms() {
 #endif
 
 OpenCLPlatform::OpenCLPlatform() {
+    deprecatedPropertyReplacements["OpenCLDeviceIndex"] = "DeviceIndex";
+    deprecatedPropertyReplacements["OpenCLDeviceName"] = "DeviceName";
+    deprecatedPropertyReplacements["OpenCLPrecision"] = "Precision";
+    deprecatedPropertyReplacements["OpenCLUseCpuPme"] = "UseCpuPme";
+    deprecatedPropertyReplacements["OpenCLDisablePmeStream"] = "DisablePmeStream";
     OpenCLKernelFactory* factory = new OpenCLKernelFactory();
     registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
     registerKernelFactory(UpdateStateDataKernel::Name(), factory);
@@ -139,7 +144,10 @@ bool OpenCLPlatform::isPlatformSupported() {
 const string& OpenCLPlatform::getPropertyValue(const Context& context, const string& property) const {
     const ContextImpl& impl = getContextImpl(context);
     const PlatformData* data = reinterpret_cast<const PlatformData*>(impl.getPlatformData());
-    map<string, string>::const_iterator value = data->propertyValues.find(property);
+    string propertyName = property;
+    if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
+        propertyName = deprecatedPropertyReplacements.find(property)->second;
+    map<string, string>::const_iterator value = data->propertyValues.find(propertyName);
     if (value != data->propertyValues.end())
         return value->second;
     return Platform::getPropertyValue(context, property);

platforms/opencl/tests/OpenCLTests.h

@@ -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:                                                              *
  *                                                                            *
@@ -39,9 +39,9 @@ OpenMM::OpenCLPlatform platform;
 
 void initializeTests(int argc, char* argv[]) {
     if (argc > 1)
-        platform.setPropertyDefaultValue("OpenCLPrecision", std::string(argv[1]));
+        platform.setPropertyDefaultValue("Precision", std::string(argv[1]));
     if (argc > 2)
         platform.setPropertyDefaultValue("OpenCLPlatformIndex", std::string(argv[2]));
     if (argc > 3)
-        platform.setPropertyDefaultValue("OpenCLDeviceIndex", std::string(argv[3]));
+        platform.setPropertyDefaultValue("DeviceIndex", std::string(argv[3]));
 }

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaAngleForce.cpp

@@ -329,7 +329,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaAngleForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
         testOneAngle();
         testPeriodic();
 

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaBondForce.cpp

@@ -248,7 +248,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaBondForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
         testTwoBond();
         testPeriodic();
     } catch(const std::exception& e) {

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp

@@ -8460,7 +8460,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaGeneralizedKirkwoodForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
         // test direct and mutual polarization cases and
         // mutual polarization w/ the cavity term

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaInPlaneAngleForce.cpp

@@ -395,7 +395,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaInPlaneAngleForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
         testOneAngle();
         testPeriodic();
     } catch(const std::exception& e) {

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp

@@ -3066,7 +3066,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaMultipoleForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
 
         // tests using two ammonia molecules
 

plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp

@@ -490,7 +490,7 @@ int main(int argc, char* argv[]) {
         std::cout << "TestCudaAmoebaOutOfPlaneBendForce running test..." << std::endl;
         registerAmoebaCudaKernelFactories();
         if (argc > 1)
-            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
+            Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
 
         testOneOutOfPlaneBend();
         testPeriodic();