Miscellaneous Utilities¶
openmmtools.utils provides a number of useful utilities for working with OpenMM.
Timing functions¶
time_it |
Context manager to log execution time of a block of code. |
with_timer |
Decorator that logs the execution time of a function. |
Timer |
A class with stopwatch-style timing functions. |
Temporary directories¶
temporary_directory |
Context for safe creation of temporary directories. |
Symbolic mathematics¶
sanitize_expression |
Sanitize variables with an illegal Python name. |
math_eval |
Evaluate a mathematical expression with variables. |
Quantity functions¶
is_quantity_close |
Check if the quantities are equal up to floating-point precision errors. |
OpenMM Platform utilities¶
get_available_platforms |
Return a list of the available OpenMM Platforms. |
get_fastest_platform |
Return the fastest available platform. |
Serialization utilities¶
serialize |
Serialize an object. |
deserialize |
Deserialize an object. |
Metaclass utilities¶
with_metaclass |
Create a base class with a metaclass. |
SubhookedABCMeta |
Abstract class with an implementation of __subclasshook__. |
find_all_subclasses |
Return a set of all the classes inheriting from parent_cls. |
find_subclass |
Return the class called subcls_name inheriting from parent_cls. |
OpenMM custom object utilities¶
RestorableOpenMMObject |
Base class for restorable custom integrators and forces. |