mmtbx.f_model.manager.deep_copy() does not work correctly when twinned?
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/41df8498857c186a3f83351090683b35... 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_mod... Does anybody know how to solve this copying issue? Best regards, Keitaro
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/41df8498857c186a3f83351090683b35...
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_mod...
Does anybody know how to solve this copying issue?
Best regards, Keitaro _______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb
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
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/41df8498857c186a3f83351090683b35...
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_mod...
Does anybody know how to solve this copying issue?
Best regards, Keitaro _______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb
Hi Keitaro, thanks a lot! I will work on this once I get a chance (likely within next few weeks). All the best, Pavel On 5/14/18 19:54, Keitaro Yamashita wrote:
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
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/41df8498857c186a3f83351090683b35...
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_mod...
Does anybody know how to solve this copying issue?
Best regards, Keitaro _______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb
participants (2)
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Keitaro Yamashita
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Pavel Afonine