Code

1791 Mugglify CIF Importer#1799

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Merged

trisyoungs merged 25 commits intodevelopdisorderedmaterials/dissolve:developfrom 1791-mugglify-cif-importerdisorderedmaterials/dissolve:1791-mugglify-cif-importerCopy head branch name to clipboardFeb 21, 2024

+1,703-1,975

Commits

Commits on Feb 19, 2024

• First pass - single page CIF import dialog.

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  06ed83a

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• Clarify overlap vs bonding tolerance, more fixes to new UI.

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• Tidy includes, remove CalculateBonding flag.

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• Remove PreventMetallic flag.

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• Update UI.

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• Remove flags completely.

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• Check for widgets updating, fix feedback from checkbox options.

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• Use a toolbox in the dialog, add info bar to structure viewer.

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• Option consistency with UI.

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• Rename function to avoid clash with QWidget base.

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• More layout rearrangement (nearly there).

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• Finalise dialog, and no longer a Wizard.

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• Update on change to assembly data, and don't crash if no atoms were generated.

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• Only regenerate necessary data.

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• Add new ctor for AtomType.

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• Remove need for CoreData except for molecular species determination.

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  a2e64f7

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• Fix function comment.

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• Remove need for CoreData instance.

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• Reinstate authors list.

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  6239b83

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• Fixup unit tests.

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• Update src/gui/menu_species.cpp

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• Less aggressive text when data is not found.

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• Set state of NETA-related subcontrols.

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• Update src/gui/importCIFDialog.cpp

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• Format.

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