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OpenMM
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OpenMM
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A Platform defines an implementation of all the kernels needed to perform some calculation. More...
Inherits _object.
Public Member Functions | |
| def | __init__ |
| def | __del__ |
| del(OpenMM::Platform self) More... | |
| def | registerPlatform |
| registerPlatform(Platform platform) More... | |
| def | getNumPlatforms |
| getNumPlatforms() -> int More... | |
| def | getPlatform |
| getPlatform(int index) -> Platform More... | |
| def | getPlatformByName |
| getPlatformByName(std::string const & name) -> Platform More... | |
| def | findPlatform |
| findPlatform(vectorstring kernelNames) -> Platform More... | |
| def | loadPluginLibrary |
| loadPluginLibrary(std::string const & file) More... | |
| def | loadPluginsFromDirectory |
| loadPluginsFromDirectory(std::string const & directory) -> vectorstring More... | |
| def | getDefaultPluginsDirectory |
| getDefaultPluginsDirectory() -> std::string const & More... | |
| def | getOpenMMVersion |
| getOpenMMVersion() -> std::string const & More... | |
| def | getName |
| getName(Platform self) -> std::string const & More... | |
| def | getSpeed |
| getSpeed(Platform self) -> double More... | |
| def | supportsDoublePrecision |
| supportsDoublePrecision(Platform self) -> bool More... | |
| def | getPropertyNames |
| getPropertyNames(Platform self) -> vectorstring More... | |
| def | getPropertyValue |
| getPropertyValue(Platform self, Context context, std::string const & property) -> std::string const & More... | |
| def | setPropertyValue |
| setPropertyValue(Platform self, Context context, std::string const & property, std::string const & value) More... | |
| def | getPropertyDefaultValue |
| getPropertyDefaultValue(Platform self, std::string const & property) -> std::string const & More... | |
| def | setPropertyDefaultValue |
| setPropertyDefaultValue(Platform self, std::string const & property, std::string const & value) More... | |
| def | supportsKernels |
| supportsKernels(Platform self, vectorstring kernelNames) -> bool More... | |
A Platform defines an implementation of all the kernels needed to perform some calculation.
More precisely, a Platform object acts as a registry for a set of KernelFactory objects which together implement the kernels. The Platform class, in turn, provides a static registry of all available Platform objects.
To get a Platform object, call
Platform& platform Platform::findPlatform(kernelNames);
passing in the names of all kernels that will be required for the calculation you plan to perform. It will return the fastest available Platform which provides implementations of all the specified kernels. You can then call createKernel() to construct particular kernels as needed.
| def __init__ | ( | self, | |
| args, | |||
| kwargs | |||
| ) |
| def __del__ | ( | self | ) |
del(OpenMM::Platform self)
References simtk.openmm.openmm.stripUnits().
| def findPlatform | ( | args | ) |
findPlatform(vectorstring kernelNames) -> Platform
Find a Platform which can be used to perform a calculation.
| kernelNames | the names of all kernels which will be needed for the calculation |
References simtk.openmm.openmm.stripUnits().
| def getDefaultPluginsDirectory | ( | ) |
getDefaultPluginsDirectory() -> std::string const &
Get the default directory from which to load plugins. If the environment variable OPENMM_PLUGIN_DIR is set, this returns its value. Otherwise, it returns a platform specific default location.
References simtk.openmm.openmm.stripUnits().
| def getName | ( | self | ) |
getName(Platform self) -> std::string const &
Get the name of this platform. This should be a unique identifier which can be used to recognized it.
References simtk.openmm.openmm.stripUnits().
| def getNumPlatforms | ( | ) |
getNumPlatforms() -> int
Get the number of Platforms that have been registered.
References simtk.openmm.openmm.stripUnits().
| def getOpenMMVersion | ( | ) |
getOpenMMVersion() -> std::string const &
Get a string containing the version number of the OpenMM library.
References simtk.openmm.openmm.stripUnits().
| def getPlatform | ( | args | ) |
getPlatform(int index) -> Platform
Get a registered Platform by index.
References simtk.openmm.openmm.stripUnits().
| def getPlatformByName | ( | args | ) |
getPlatformByName(std::string const & name) -> Platform
Get the registered Platform with a particular name. If no Platform with that name has been registered, this throws an exception.
References simtk.openmm.openmm.stripUnits().
| def getPropertyDefaultValue | ( | self, | |
| args | |||
| ) |
getPropertyDefaultValue(Platform self, std::string const & property) -> std::string const &
Get the default value of a Platform-specific property. This is the value that will be used for newly created Contexts.
| property | the name of the property to get |
References simtk.openmm.openmm.stripUnits().
| def getPropertyNames | ( | self | ) |
getPropertyNames(Platform self) -> vectorstring
Get the names of all Platform-specific properties this Platform supports.
References simtk.openmm.openmm.stripUnits().
| def getPropertyValue | ( | self, | |
| args | |||
| ) |
getPropertyValue(Platform self, Context context, std::string const & property) -> std::string const &
Get the value of a Platform-specific property for a Context.
| context | the Context for which to get the property |
| property | the name of the property to get |
References simtk.openmm.openmm.stripUnits().
| def getSpeed | ( | self | ) |
getSpeed(Platform self) -> double
Get an estimate of how fast this Platform class is. This need not be precise. It only is expected to return an order or magnitude estimate of the relative performance of different Platform classes. An unoptimized reference implementation should return 1.0, and all other Platforms should return a larger value that is an estimate of how many times faster they are than the reference implementation.
References simtk.openmm.openmm.stripUnits().
| def loadPluginLibrary | ( | args | ) |
loadPluginLibrary(std::string const & file)
Load a dynamic library (DLL) which contains an OpenMM plugin. Typically, each Platform is distributed as a separate dynamic library. This method can then be called at runtime to load each available library. Each library should contain an initializer function to register any Platforms and KernelFactories that it contains.
If the file does not exist or cannot be loaded, an exception is thrown.
| file | the path to the dynamic library file. This is interpreted using the operating system's rules for loading libraries. Typically it may be either an absolute path or relative to a set of standard locations. |
References simtk.openmm.openmm.stripUnits().
| def loadPluginsFromDirectory | ( | args | ) |
loadPluginsFromDirectory(std::string const & directory) -> vectorstring
Load multiple dynamic libraries (DLLs) which contain OpenMM plugins from a single directory. This method loops over every file contained in the specified directory and calls loadPluginLibrary() for each one. If an error occurs while trying to load a particular file, that file is simply ignored.
| directory | the path to the directory containing libraries to load |
References simtk.openmm.openmm.stripUnits().
| def registerPlatform | ( | args | ) |
registerPlatform(Platform platform)
Register a new Platform.
| def setPropertyDefaultValue | ( | self, | |
| args | |||
| ) |
setPropertyDefaultValue(Platform self, std::string const & property, std::string const & value)
Set the default value of a Platform-specific property. This is the value that will be used for newly created Contexts.
| property | the name of the property to set |
| value | the value to set for the property |
References simtk.openmm.openmm.stripUnits().
| def setPropertyValue | ( | self, | |
| args | |||
| ) |
setPropertyValue(Platform self, Context context, std::string const & property, std::string const & value)
Set the value of a Platform-specific property for a Context.
| context | the Context for which to set the property |
| property | the name of the property to set |
| value | the value to set for the property |
References simtk.openmm.openmm.stripUnits().
| def supportsDoublePrecision | ( | self | ) |
supportsDoublePrecision(Platform self) -> bool
Get whether this Platform supports double precision arithmetic. If this returns false, the platform is permitted to represent double precision values internally as single precision.
References simtk.openmm.openmm.stripUnits().
| def supportsKernels | ( | self, | |
| args | |||
| ) |
supportsKernels(Platform self, vectorstring kernelNames) -> bool
Determine whether this Platforms provides implementations of a set of kernels.
| kernelNames | the names of the kernels of interests |
References simtk.openmm.openmm.stripUnits().
1.8.6 
