Closed JBGreisman closed 3 years ago
Merging #64 (326d5ef) into main (8f2d073) will increase coverage by
0.00%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## main #64 +/- ##
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Coverage 98.89% 98.89%
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Files 38 38
Lines 1450 1454 +4
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+ Hits 1434 1438 +4
Misses 16 16
Flag | Coverage Δ | |
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unittests | 98.89% <100.00%> (+<0.01%) |
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Impacted Files | Coverage Δ | |
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reciprocalspaceship/dataset.py | 99.05% <100.00%> (+<0.01%) |
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Fixes #15 by adding support for complex structure factors to
DataSet.hkl_to_asu()
. This method, as well asDataSet.hkl_to_observed()
andDataSet.apply_symop()
now support applying phase shifts complex structure factors as well toPhaseDtype
columns.This method is tested by confirming that:
hkl_to_asu()
moves "P1 data" to the reciprocal ASU while correctly shifting the phase for the 63 spacegroups in our fmodel-based test sethkl_to_asu()
andhkl_to_observed()
preserve the phase of all reflections for the 63 spacegroups in our fmodel-based test set