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add in Fourier filter capability #320
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Okay, looking at this further (since I am finishing up the PyStoG stuff), I am seeing stuff I didn't realize before:
I think we should give the Q-space function as well (not over-write the original but provide the new one) since you want to provide reciprocal space function that gave you the real space function via the fourier transform. Will need this for analysis in programs that can fit the pair (like RMCProfile). Right now, the User will be left with a reciprocal space function that does not have the filter applied and the real space function that does have this applied, thus not an equal pair. |
And now that I review Issue #91, honestly, I think the first step should be just to add a back transform from real space to reciprocal space [i.e. G(r) -> S(Q)]. From that, you can actually perform the fourier filter yourself in the GUI. Yet, I do want to include your feature addition of a "quick" fourier filter button / setup to the GUI |
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Overall, I think we need to discuss more (see above comments).
Big points are:
The fourier filter needs to be optional and controlled via the GUI.
We probably should solve issue #91 first as a "first step".
The current implementation would give the User the incorrect real space, reciprocal space pair of functions [an S(Q) that the G(r) did not come from]
Update: Changes that still need to happen:
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Will close this PR and create a new one, putting in stuff based on our latest discussion as summarized by @marshallmcdonnell below,
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The Fourier filter capability is added to ADDIE interface through underlying
pystog
module. Conda recipe needs to be updated accordingly to add in the dependency uponpystog
.I will be waiting for @marshallmcdonnell to sort out the
pystog
conda package issue.Also, current implementation only applies Fourier filter in real-space. Need to discuss with Matt whether we want the Fourier filter to be reflected in Q-space as well. Will put in corresponding implementation if needed.
Related to issue #91