Closed dermen closed 2 years ago
This is the changes needed to annotate hkl information as mouse moves.. also and importantly, this PR also changes the reset method to not reinstntiate diffBragg, rather just reset the Umatrix .. .
Excellent!
I was thinking I’d try to work on getting the diffuse anisotropic to track the crystal orientation, but I’m not sure whether I’ll be able to get a development build working on my laptop. Let me know if you make any progress on that…
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From: Derek Mendez @.**@.>> Date: Thursday, Jun 02, 2022, 10:49 AM To: dermen/sim_erice @.**@.>> Cc: Subscribed @.**@.>> Subject: [EXTERNAL] [dermen/sim_erice] several updates (PR #5)
fixes reset mode to not instantiate diffbragg, rather set Umatrix
defaultF for self.SIM_noSF is median of the PDB Fcalcs (may/may not help with diffuse scatter scaling)
hkl, distance to integer hkl, and |F| amplitude will display as mouse hovers (need to verify math,compare with diffBragg internal values)
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@irisdyoung did you want to pull this in ? I wanted someone else to test it fist
I don't understand the (x,y) values displayed -- they aren't correlated with resolution and they aren't the pixel positions on the detector -- they seem to be canvas (x,y), in which case I don't think we want to display this.
fractional and integer hkl and the rest work great for me.
I'm getting some weird viewer behavior when I move outside the canvas limits. The canvas flickers and resizes a little. Maybe we need to do some check for whether we're outside bounds?
I am also wondering if we want to display |F| = 0 when the nearest hkl does not produce any pixels on the display.
I am comparing with the current version and noticing that the irrelevant (x,y) is mine ... interested to hear your opinion on it @dermen and in the mean time merging your pull request in.
Walking back my earlier claim -- x,y are indeed pixel positions and these stay accurate when zoomed. Would probably be worth labeling things at this point, including RGB values which are easy to confuse with hkl since they're a tuple of the same length.
fixes reset mode to not instantiate diffbragg, rather set Umatrix
defaultF for self.SIM_noSF is median of the PDB Fcalcs (may/may not help with diffuse scatter scaling)
hkl, distance to integer hkl, and |F| amplitude will display as mouse hovers (need to verify math,compare with diffBragg internal values)