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feat: Refactor BraggNode test to get MgO from CIF file#2344

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RobBuchananCompPhys merged 4 commits intodevelop2from
dissolve2/bragg-mgo-from-cif
Apr 10, 2026
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feat: Refactor BraggNode test to get MgO from CIF file#2344
RobBuchananCompPhys merged 4 commits intodevelop2from
dissolve2/bragg-mgo-from-cif

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Looks good - tested and working! The actual unit cell is basically the same as from the previous old input file, so no need to rerun the EPSR tests as it turns out. There are some test data files to be removed (the whole dissolve2/bragg directory) and the PR itself can now be rebased onto develop2 and the tests themselves refactored a little to use the new graph creation functions.

Comment thread src/io/import/cif.h
@RobBuchananCompPhys RobBuchananCompPhys marked this pull request as ready for review April 8, 2026 12:33
@RobBuchananCompPhys RobBuchananCompPhys mentioned this pull request Apr 8, 2026
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@RobBuchananCompPhys RobBuchananCompPhys merged commit 605f7b1 into develop2 Apr 10, 2026
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@RobBuchananCompPhys RobBuchananCompPhys deleted the dissolve2/bragg-mgo-from-cif branch April 10, 2026 10:30
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2 participants