[cctbxbb] mmtbx.f_model.manager.deep_copy() does not work correctly when twinned?

Keitaro Yamashita keitaro.yamashita at bs.s.u-tokyo.ac.jp
Mon May 14 02:33:58 PDT 2018


Dear CCTBX developers,

I found phenix.maps did not recognize twinning. Clearly, "fmodel" in
the following code should be "fmodel_". (underscore missing)
https://github.com/cctbx/cctbx_project/blob/41df8498857c186a3f83351090683b35be54a8e5/mmtbx/utils/__init__.py#L1524

However, this did not solve the problem. This is due to
fmodel_.deep_copy() in line 1530. For example,

fmodel_.info().show_rfactors_targets_scales_overall()
fmodel_.deep_copy().info().show_rfactors_targets_scales_overall()

These two lines show different stats in case of twinning (fmodel_ is
mmtbx.twinning.twin_f_model.twin_model_manager object). So deep_copy()
is not working correctly. I found that something was wrong with
fmodel_ts1.deep_copy() here.
https://github.com/cctbx/cctbx_project/blob/master/mmtbx/twinning/twin_f_model.py#L641

Does anybody know how to solve this copying issue?

Best regards,
Keitaro


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