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Generate S(Q) button to do reverse transform from reciprocal -> real space #91

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marshallmcdonnell opened this issue Apr 13, 2017 · 3 comments
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GUI: Calcualte G(r) Tab The Calculate G(r) Tab Priority: Low Low priority feature / fix Status: Mantid Work Needed WIP depends on Mantid work being complete first Status: PyStoG Work Needed WIP depends on PyStoG work being complete first Type: Enhancement Added feature or enhancement of current features

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@marshallmcdonnell
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marshallmcdonnell commented Apr 13, 2017

Need a button just like Generate G(r) but instead a Generate S(Q) to do the back transform. The interface should be simpler than the G(r) one, though. Here is an example sketch:

generate_sofq

We currently work off the PDFFourierTransform algorithm, shown below:

generate_sofq_code

The algorithm documentation is here:
http://docs.mantidproject.org/nightly/algorithms/PDFFourierTransform-v1.html

The code on GitHub is located here:
https://github.com/mantidproject/mantid/blob/abf4be6d7bddce52a0d0949f53eff5e8159e0abb/Framework/Algorithms/src/PDFFourierTransform.cpp

Do we need write a new Mantid algorithm (SQFourierTransform) or do we need to work with the current one? I think the former is better since PDFFourierTransform is used by others besides us (Dynamic PDF is one example looking at the Mantid repository)
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@marshallmcdonnell
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Big push for this: We will be able to apply Fourier Filters in the Calculate G(r) Tab.

@marshallmcdonnell marshallmcdonnell added GUI: Calcualte G(r) Tab The Calculate G(r) Tab Priority: High High priority feature / fix Type: Enhancement Added feature or enhancement of current features and removed Status: Ready Ready for review labels Sep 30, 2019
@marshallmcdonnell
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WIP is in the pystog repo. If we can do the following, this can be implemented for the GUI simply by calling Mantid algorithms:

Then, calling these new algorithsm for the Reciprocal -> Real space can be implemented for the back transform

@marshallmcdonnell marshallmcdonnell changed the title Calculate G(r) Tab - Generate S(Q) feature Calculate G(r) Tab - Sep 30, 2019
@marshallmcdonnell marshallmcdonnell changed the title Calculate G(r) Tab - Generate S(Q) button to do reverse transform from reciprocal -> real space Sep 30, 2019
@marshallmcdonnell marshallmcdonnell added Status: Mantid Work Needed WIP depends on Mantid work being complete first Status: PyStoG Work Needed WIP depends on PyStoG work being complete first labels Oct 5, 2019
@marshallmcdonnell
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Based on discussion with @Kvieta1990 and Matt Tucker, will put this in backlog, not an important feature.

@marshallmcdonnell marshallmcdonnell added Priority: Low Low priority feature / fix and removed Priority: High High priority feature / fix labels Jan 7, 2021
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Labels
GUI: Calcualte G(r) Tab The Calculate G(r) Tab Priority: Low Low priority feature / fix Status: Mantid Work Needed WIP depends on Mantid work being complete first Status: PyStoG Work Needed WIP depends on PyStoG work being complete first Type: Enhancement Added feature or enhancement of current features
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