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

Pavel Afonine pafonine at lbl.gov
Mon May 14 15:36:33 PDT 2018


Hi Keitaro,

thanks for pointing this out! I will investigate once I get a chance.
Do you have a little script that exemplifies the issue?

Pavel

On 5/14/18 02:33, Keitaro Yamashita wrote:
> 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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