DataTest (Module)

Compare calculated data from modules with external or internal references

Overview

DataTest is predominantly used in Dissolve’s system tests for checking calculated one-, two-, or three-dimensional properties against external reference data. It also allows comparison between datasets within Dissolve, for example when ensuring the correctness and consistency of two different methods calculating the same thing.

Keywords

Test

Keyword Arguments Default Description
Data1D TargetData
Data1DFileAndFormat		 – Filename and format of external one-dimensional data to be read in and tested against the named internal TargetData. This keyword may be specified multiple times in order to test many datasets sequentially.
Data2D TargetData
Data2DFileAndFormat		 – Filename and format of external two-dimensional data to be read in and tested against the named internal TargetData. This keyword may be specified multiple times in order to test many datasets sequentially.
Data3D TargetData
Data3DFileAndFormat		 – Filename and format of external three-dimensional data to be read in and tested against the named internal TargetData. This keyword may be specified multiple times in order to test many datasets sequentially.
ErrorType ErrorType Euclidean Error metric to use when comparing the datasets within this module instance.
InternalData1D TargetDataA
TargetDataB		 – Target internal datasets TargetDataA and TargetDataB to compare and calculate error. This keyword may be specified multiple times in order to test many datasets sequentially.
SampledDouble TargetData
double		 – Target internal SampledDouble data TargetData and the real value to compare it against. This keyword may be specified multiple times in order to test many datasets sequentially.
SampledVector TargetData
ValueFileAndFormat		 – Filename and format of external value data to be read in and tested against the named internal TargetData, which is a SampledVector. This keyword may be specified multiple times in order to test many datasets sequentially.
Threshold double 5.0e-3 Threshold value for error, above which the test fails.
Last modified March 10, 2023: Web docs styling (#1350) (43924dc)