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