dials.index: support arbitrary P1 unit cells #1880
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This supports passing in arbitrary P1 cells, and getting back the cell in the requested setting. Fixes #1878
rjgildea
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Makes sense. Thanks for fixing this so quickly! |
E.g. first application of minimum_cell() gives: 18.05165506, 18.05165506, 19.95912326, 116.8859257, 116.8859257, 90 and second gives: 18.05165506, 18.05165506, 19.95912326, 63.11407432, 63.11407432, 90
Codecov Report
@@ Coverage Diff @@
## main #1880 +/- ##
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Coverage 67.12% 67.13%
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Files 619 619
Lines 70029 70041 +12
Branches 9734 9735 +1
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+ Hits 47010 47022 +12
Misses 21052 21052
Partials 1967 1967 |
Since the minimum cell reduction may not always be numerically stable, we can sometimes have multiple equivalent minimum cells.
dagewa
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Dec 13, 2021
Map input unit cell to minimum cell for aP settings, to support passing in arbitrary P1 cells. The final unit cell will be reported in the requested setting. Fixes dials#1878 Co-authored-by: Daniel Paley <dwpaley@gmail.com>
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Map input unit cell to minimum cell for aP settings, to support passing in arbitrary P1 cells. The final unit cell will be reported in the requested setting.
Fixes #1878