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Parse _space_group_symop_operation_xyz in mmcif #1578

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merged 3 commits into from
Jun 27, 2017

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afonari
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@afonari afonari commented May 25, 2017

Currently only _symmetry_equiv_pos_as_xyz is parsed in mmcifformat, which is superseded by _space_group_symop_operation_xyz: http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Isymmetry_equiv_pos_as_xyz.html

cifformat covers both names, so change is not needed there.

Added a test.

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afonari commented Jun 7, 2017

This is ready for review.

@baoilleach baoilleach self-requested a review June 20, 2017 20:08
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afonari commented Jun 23, 2017

Bump.

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Looks good. Sorry for delay...

@baoilleach baoilleach merged commit 9359f9e into openbabel:master Jun 27, 2017
@baoilleach baoilleach removed their request for review June 27, 2017 05:49
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afonari commented Jun 27, 2017

Thanks for review and merge.

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2 participants