search

disorderedmaterials / dissolve

Structure refinement software for total scattering data
GNU General Public License v3.0
9 stars 16 forks source link

(DataTest) Data Display and Ranges #1620

Closed trisyoungs closed 1 year ago

trisyoungs commented 1 year ago

Describe the feature / issue In a general sense having the ability to test structure factor (or other) data from an Accumulate module against an experimental reference is desirable. For example, we would want the ability to test accumulated total F(Q) data against experimental reference data in a NeutronSQ module.

This really feels like a specific use case for the DataTest module, which to date has been used solely for system testing in the CI. However, it has the basic components required, but lacks the ability to display the data being compared and the difference between the two datasets (and the difference), and the error range(s) over which the testing is made.

One caveat - the input keywords for the DataTest module do not currently have UI widgets, and it is probably beyond the scope of this PR to implement them.

trisyoungs commented 1 year ago

After discussion it was decided that one or more new modules will be introduced to achieve this, with the DataTest module itself removed as part of #1636.