Open huwjenkins opened 2 years ago
This first happens here, even if the cb_op
is identity:
https://github.com/dials/dials/blob/d3f9572885d2c319f39e4b3f6aa6a37c2072a767/command_line/reindex.py#L131
I think it would still happen later even if we avoided this call, because we later do:
https://github.com/dials/dials/blob/d3f9572885d2c319f39e4b3f6aa6a37c2072a767/command_line/reindex.py#L145
and set_B
does this:
https://github.com/cctbx/dxtbx/blob/20d4cf201afe4465e0d01bbfb50dfb688b33b463/src/dxtbx/model/crystal.h#L456-L457
I suppose the solution is that in such a case we should not be setting B either
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e.g. change space group from P222 to P212121:
dials.show scaled.expt |egrep "Unit|Space"
dials.reindex scaled.{expt,refl} space_group=P212121
dials.show reindexed.expt |egrep "Unit|Space"