[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 19:54:08 PDT 2018


Dear Pavel,

Thanks for your reply. I created an issue on github and prepared a
script to reproduce this problem.
https://github.com/cctbx/cctbx_project/issues/194

Best regards,
Keitaro

On 15 May 2018 at 07:36, Pavel Afonine <pafonine at lbl.gov> wrote:
> 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
>> _______________________________________________
>> cctbxbb mailing list
>> cctbxbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/cctbxbb
>
>


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