Warn user before starting scattering calcs on large structures #3737
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rozyczko
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Nov 11, 2025
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rozyczko
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Looks good. It's important to tell users their requests are sometimes too tall :)
Minor code comments only.
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wpotrzebowski
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Generally looks good to me. Some minor suggestion.
wpotrzebowski
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Nov 12, 2025
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Tested on the large protein capsid on MacOSX. Works as expected.
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Description
The user will now receive a popup if a GSC calculation is requested with large input structures. This will continue to appear on every such request until the user accepts it, after which it will no longer be shown.
Fixes #2915
How Has This Been Tested?
Manually verified functionality by running with various different input structures, ranging from 50k to 500k atoms.
Documentation (check at least one)
Installers
Licensing (untick if necessary)