OpenMM
|
A Platform defines an implementation of all the kernels needed to perform some calculation. More...
Inherits _object.
Public Member Functions | |
def | __init__ |
def | registerPlatform |
Register a new Platform. | |
def | getNumPlatforms |
getNumPlatforms() -> int | |
def | getPlatform |
getPlatform(index) -> Platform | |
def | getPluginLoadFailures |
getPluginLoadFailures() -> vectorstring | |
def | getPlatformByName |
getPlatformByName(name) -> Platform | |
def | findPlatform |
findPlatform(kernelNames) -> Platform | |
def | loadPluginLibrary |
Load a dynamic library (DLL) which contains an OpenMM plugin. | |
def | loadPluginsFromDirectory |
loadPluginsFromDirectory(directory) -> vectorstring | |
def | getDefaultPluginsDirectory |
getDefaultPluginsDirectory() -> std::string const & | |
def | getOpenMMVersion |
getOpenMMVersion() -> std::string const & | |
def | getName |
getName(self) -> std::string const & | |
def | getSpeed |
getSpeed(self) -> double | |
def | supportsDoublePrecision |
supportsDoublePrecision(self) -> bool | |
def | getPropertyNames |
getPropertyNames(self) -> vectorstring | |
def | getPropertyValue |
getPropertyValue(self, context, property) -> std::string const & | |
def | setPropertyValue |
Set the value of a Platform-specific property for a Context. | |
def | getPropertyDefaultValue |
getPropertyDefaultValue(self, property) -> std::string const & | |
def | setPropertyDefaultValue |
Set the default value of a Platform-specific property. | |
def | supportsKernels |
supportsKernels(self, kernelNames) -> bool | |
Static Public Attributes | |
tuple | registerPlatform = staticmethod(registerPlatform) |
tuple | getNumPlatforms = staticmethod(getNumPlatforms) |
tuple | getPlatform = staticmethod(getPlatform) |
tuple | getPluginLoadFailures = staticmethod(getPluginLoadFailures) |
tuple | getPlatformByName = staticmethod(getPlatformByName) |
tuple | findPlatform = staticmethod(findPlatform) |
tuple | loadPluginLibrary = staticmethod(loadPluginLibrary) |
tuple | loadPluginsFromDirectory = staticmethod(loadPluginsFromDirectory) |
tuple | getDefaultPluginsDirectory = staticmethod(getDefaultPluginsDirectory) |
tuple | getOpenMMVersion = staticmethod(getOpenMMVersion) |
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 findPlatform | ( | kernelNames | ) |
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.
def getName | ( | self | ) |
getName(self) -> std::string const &
Get the name of this platform. This should be a unique identifier which can be used to recognized it.
def getNumPlatforms | ( | ) |
getNumPlatforms() -> int
Get the number of Platforms that have been registered.
def getOpenMMVersion | ( | ) |
getOpenMMVersion() -> std::string const &
Get a string containing the version number of the OpenMM library.
def getPlatform | ( | index | ) |
def getPlatformByName | ( | name | ) |
def getPluginLoadFailures | ( | ) |
getPluginLoadFailures() -> vectorstring
Get any failures caused during the last call to loadPluginsFromDirectory
def getPropertyDefaultValue | ( | self, | |
property | |||
) |
getPropertyDefaultValue(self, 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 | (string) the name of the property to get |
def getPropertyNames | ( | self | ) |
getPropertyNames(self) -> vectorstring
Get the names of all Platform-specific properties this Platform supports.
def getPropertyValue | ( | self, | |
context, | |||
property | |||
) |
def getSpeed | ( | self | ) |
getSpeed(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.
def loadPluginLibrary | ( | 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 | (string) 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. |
def loadPluginsFromDirectory | ( | directory | ) |
loadPluginsFromDirectory(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. You can retrieve a list of all such errors by calling getPluginLoadFailures().
directory | (string) the path to the directory containing libraries to load |
def registerPlatform | ( | platform | ) |
Register a new Platform.
def setPropertyDefaultValue | ( | self, | |
property, | |||
value | |||
) |
Set the default value of a Platform-specific property.
This is the value that will be used for newly created Contexts.
property | (string) the name of the property to set |
value | (string) the value to set for the property |
def setPropertyValue | ( | self, | |
context, | |||
property, | |||
value | |||
) |
def supportsDoublePrecision | ( | self | ) |
supportsDoublePrecision(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.
def supportsKernels | ( | self, | |
kernelNames | |||
) |
supportsKernels(self, kernelNames) -> bool
Determine whether this Platforms provides implementations of a set of kernels.
kernelNames | (vector< std::string >) the names of the kernels of interests |
tuple findPlatform = staticmethod(findPlatform) [static] |
tuple getDefaultPluginsDirectory = staticmethod(getDefaultPluginsDirectory) [static] |
tuple getNumPlatforms = staticmethod(getNumPlatforms) [static] |
tuple getOpenMMVersion = staticmethod(getOpenMMVersion) [static] |
tuple getPlatform = staticmethod(getPlatform) [static] |
tuple getPlatformByName = staticmethod(getPlatformByName) [static] |
tuple getPluginLoadFailures = staticmethod(getPluginLoadFailures) [static] |
tuple loadPluginLibrary = staticmethod(loadPluginLibrary) [static] |
tuple loadPluginsFromDirectory = staticmethod(loadPluginsFromDirectory) [static] |
tuple registerPlatform = staticmethod(registerPlatform) [static] |