Export merged #182
Export merged #182
Conversation
- Active only when scaled is selected - Does not actually do anything yet
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Ok, this is in a slightly better state now.
I could not figure out how to disable the Run button prior to a filename being selected. As a result, you still start with a default filename ( This needs a bit of testing over the next week. |
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Oh, another thing: because the file dialogue allows the user to write the file anywhere they like, not just in |
No longer write output.json, but manifest.json, which tracks full paths of MTZs, their types (integrated|scaled|merged) and the associated report HTML
This was tricky the user could change the type of output MTZ, which should update automatically set filename, like integrated.mtz, scaled.mtz or merged.mtz. But this was not working. Simpler just to revert to a default dui_output.mtz unless the user specifies otherwise.
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In discussion with Eugene and Kyle, I have now changed the MTZ copying behaviour, and recording of filenames in |
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Is ok by me...
I pass the torch to David on this, as this week is not the best one for me and David is more in touch with the developers of CCP4 cloud.
Thanks
L
…________________________________
From: David Waterman ***@***.***>
Sent: 08 November 2021 17:17
To: ccp4/DUI ***@***.***>
Cc: Fuentes-Montero, Luis (DLSLtd,RAL,LSCI) ***@***.***>; Review requested ***@***.***>
Subject: Re: [ccp4/DUI] Export merged (PR #182)
In discussion with Eugene and Kyle, I have now changed the MTZ copying and recording in output.json to a new mechanism that records file path and type (integrated|scaled|merged) in manifest.json. The automatic setting of filenames was partially broken and in the end I just removed it. The MTZ output name defaults to dui_output.mtz unless changed by the user.
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Thanks @luisodls. I'll merge now and make a release. I think DUI is working well enough now in my hands for the workshop |
This is intended to fix #179 but ended up more complicated than I expected. To get merged MTZs I had to get DUI to run
dials.mergeinstead ofdials.export. DUI takes a lot of control over what commands can be run and has various bits of special case handling, not all of which I understand.There are still some bugs in this area (like #181 and #147) but I don't think these have been introduced here, just remain unfixed.