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Package etomica.units

Defines units and dimensions that are used for conversions during input or output.

See: Description

Package etomica.units Description

Defines units and dimensions that are used for conversions during input or output. All quantities used internally by the simulation are given in "simulation units", which is based on the Angstrom as the unit of length, the Dalton as the unit of mass, and the picosecond as the unit of time (a Dalton, or atomic mass unit (amu), is one gram divided by Avogadro's number). The classes given in this package can be used to convert between these units and another unit that might be more natural or convenient. The two key elements of the package are the Unit interface and the abstract Dimension class.

Dimension

Instances of Dimension can be used to indicate the physical nature of a value, e.g., whether it is a quantity of mass, length, force, etc. There are two places where this information is routinely provided: Dimensions are specified via a signature, which is an array of seven values indicating the exponents of the fundamental dimensions that are combined to form the specified dimension. The fundamental dimensions follow the convention defined by the SI system, and are So, for example, the signature of the energy dimension is length2-mass/time2 and is given by the signature array (2, 1, -2, 0, 0, 0, 0). The signature of energy/molecules (e.g., Joules/mole) is (2, 1, -2, 0, 0, -1, 0).

Dimension subclasses are defined for the fundamental dimensions and commonly encountered derived dimensions. These classes have names such as Length, Time, Volume, Energy, and so on. These classes all define static singleton instances with the field name DIMENSION; the field SIM_UNIT in each class gives an instance of Unit that corresponds to the unit derived from simulation units for that dimension. Other dimensions can be defined by constructing instances of CompoundDimension.

Unit

Implementations of the Unit interface provide a convenient means to convert between simulation units and some other particular unit, which need be done only when data is read, written, or displayed.

SimpleUnit is a basic class that holds a conversion factor, a Dimension instance and other descriptive information for implementing a basic Unit. Many specific units are defined by extending this class; examples include Kelvin, Bar, Joule, etc.

A PrefixedUnit class takes a Unit instance and a Prefix, which can be used to construct units such as kilograms (combining Prefix.KILO with Gram.UNIT).

Derived units that are not already defined can be constructed using the CompoundUnit class.

The package etomica.units.systems defines constructs that can collect the units defined by conventional unit systems, such as SI, cgs, English, etc.

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