parmed.unit.unit_operators module

Module simtk.unit.unit_operators

Physical quantities with units, intended to produce similar functionality to Boost.Units package in C++ (but with a runtime cost). Uses similar API as Scientific.Physics.PhysicalQuantities but different internals to satisfy our local requirements. In particular, there is no underlying set of ‘canonical’ base units, whereas in Scientific.Physics.PhysicalQuantities all units are secretly in terms of SI units. Also, it is easier to add new fundamental dimensions to simtk.dimensions. You might want to make new dimensions for, say, “currency” or “information”.

Two possible enhancements that have not been implemented are

  1. Include uncertainties with propagation of errors

  2. Incorporate offsets for celsius <-> kelvin conversion

This is part of the OpenMM molecular simulation toolkit originating from Simbios, the NIH National Center for Physics-Based Simulation of Biological Structures at Stanford, funded under the NIH Roadmap for Medical Research, grant U54 GM072970. See https://simtk.org.

Portions copyright (c) 2012 Stanford University and the Authors. Authors: Christopher M. Bruns Contributors: Peter Eastman

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