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@peterfpeterson peterfpeterson commented Oct 22, 2024

This is a reimplementation of AlignAndFocusPowderFromFiles that is (currently) hard coded for the VULCAN instrument. It is a bit better than a prototype that we are bundling into mantid so it can get into instrument scientist hands for testing and feedback.

Eventually (maybe even this development cycle), this will support more instruments and functionality of AlignAndFocusPowderFromFiles.

The careful reviewer will notice that the underlying code has an amount of functionality that is not yet exposed to the user (e.g. event filtering). Please don't request it to be exposed/removed here, but it is still valid to request changes to it.

There is no associated issue.

Further detail of work

To test:

Previous call with AlignAndFocusPowderFromFiles versus AlignAndFocusPowderSlim (with the 1GB unit test file)

filename="VULCAN_218062.nxs.h5"
AlignAndFocusPowderFromFiles(Filename=filename, OutputWorkspace="wksp_from_files", Params=(13000,-0.0016,36000), PreserveEvents=False)
AlignAndFocusPowderSlim(Filename=filename, OutputWorkspace="wksp_slim", XMin=13000, XMax=36000, XDelta=0.0016)

where old takes (on my laptop) 2.8s (1.7s is for load) and new takes 1.5s.

For VULCAN_217967 (18GB) the difference is a bit larger

filename="VULCAN_217967.nxs.h5"
AlignAndFocusPowderFromFiles(Filename=filename, OutputWorkspace="wksp_from_files", Params=(7000,-0.0016,30000), PreserveEvents=False)
AlignAndFocusPowderSlim(Filename=filename, OutputWorkspace="wksp_slim", XMin=7000, XMax=30000, XDelta=0.0016)

where old is killed by oomkiller during load and new takes 16.2s.


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sf1919 commented Oct 23, 2024

I won't re-run tests on this on as it genuinely fails AlignAndFocusPowderSlimTest. I expect other commits will be pushed.

@peterfpeterson peterfpeterson force-pushed the ewm6343_aafpff_slim branch 2 times, most recently from 4e13c5c to 57a16ad Compare November 7, 2024 18:04
@peterfpeterson peterfpeterson force-pushed the ewm6343_aafpff_slim branch 2 times, most recently from dec7fda to eef6346 Compare November 18, 2024 21:42
@peterfpeterson peterfpeterson force-pushed the ewm6343_aafpff_slim branch 2 times, most recently from c94d1da to 8b01ea8 Compare December 26, 2024 17:53
@github-actions github-actions bot added the Has Conflicts Used by the bot to label pull requests that have conflicts label Dec 27, 2024
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👋 Hi, @peterfpeterson,

Conflicts have been detected against the base branch. Please rebase your branch against the base branch.

@peterfpeterson peterfpeterson removed the Has Conflicts Used by the bot to label pull requests that have conflicts label Dec 27, 2024
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👋 Hi, @peterfpeterson,

Conflicts have been detected against the base branch. Please rebase your branch against the base branch.

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👋 Hi, @peterfpeterson,

Conflicts have been detected against the base branch. Please rebase your branch against the base branch.

@peterfpeterson peterfpeterson force-pushed the ewm6343_aafpff_slim branch 2 times, most recently from 824cd74 to 1613e00 Compare January 7, 2025 18:24
@peterfpeterson peterfpeterson removed the Has Conflicts Used by the bot to label pull requests that have conflicts label Jan 7, 2025
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👋 Hi, @peterfpeterson,

Conflicts have been detected against the base branch. Please rebase your branch against the base branch.

@peterfpeterson peterfpeterson removed the Has Conflicts Used by the bot to label pull requests that have conflicts label Jan 8, 2025
@peterfpeterson peterfpeterson force-pushed the ewm6343_aafpff_slim branch 2 times, most recently from 55ea2d1 to 2801046 Compare January 10, 2025 12:43
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Everything is here that is needed for the algorithm. It is a new algorithm entering bench testing, so very low risk approving this.

@peterfpeterson peterfpeterson added Diffraction Issues and pull requests related to diffraction Powder Issues and pull requests related to powder diffraction labels Apr 23, 2025
@jmborr jmborr merged commit 38d12e7 into mantidproject:main Apr 23, 2025
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@jmborr jmborr deleted the ewm6343_aafpff_slim branch April 23, 2025 18:09
@peterfpeterson peterfpeterson restored the ewm6343_aafpff_slim branch April 23, 2025 18:11
@peterfpeterson peterfpeterson deleted the ewm6343_aafpff_slim branch April 23, 2025 19:41
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