Hello Warren,


When adding in the "cmd." I get these error messages:

Traceback (most recent call last):
  File "<string>", line 1, in <module>
AttributeError: 'module' object has no attribute 'sym_partner'
Traceback (most recent call last):
  File "<string>", line 1, in <module>
AttributeError: 'module' object has no attribute 'cell_shift_helper'

Versus the error I get with the "cmd." not included:

Traceback (most recent call last):
  File "<string>", line 1, in <module>
NameError: name 'sym_partner' is not defined
Traceback (most recent call last):
  File "<string>", line 1, in <module>
NameError: name 'cell_shift_helper' is not defined

I'm pretty stumped at this point. Does it seem like the pymol.cmd namespace isn't acquiring the new functions as it ought to be?


Stuart

2009/8/24 Warren DeLano <warren@delsci.com>

Hello Stuart,

 

By default, alter_state expressions are evaluated in the “pymol” namespace of the current PyMOL instance, not the “cmd” (pymol.cmd) namespace.  The reason why it works with ‘run’ is that run also executes in “pymol” by default, and thus, includes any functions you define.

 

Try:

 

cmd.alter_state(1, copy, "x,y,z = cmd.sym_partner([x,y,z], stored.tmpOp)")

instead, after using cmd.extend in your startup or GUI script.

 

Cheers,

Warren

 

 


From: Stuart Ballard [mailto:srballard@wisc.edu]
Sent: Monday, August 24, 2009 3:38 PM
To: pymol-users
Subject: [PyMOL] Calling scripted functions within alter_state

 

Hello Warren, all,


I've been working on a plugin for PyMOLX11Hybrid, in which I have a few lines of code such as:

        cmd.alter_state(1, copy, "x,y,z = sym_partner([x,y,z], stored.tmpOp)")

AND

    cmd.alter_state(1, object, "x,y,z = cell_shift_helper([x,y,z],stored.shift)")

Both those functions (sym_partner and cell_shift_helper) are extended through cmd.extend() function, along with several others which work perfectly well. The issue arises only when I attempt to use these functions through a menu added to PyMOL GUI, which does not involve issuing the run /(filepath)/(script).py command in PyMOL, but rather initializes necessary commands on startup. I've confirmed that the cmd.extend() calls are made properly, but I can only fix the problem by issuing the run command independent of my initialization scripts.

Because this script is planned to be incorporated into a build of PyMOL which will be run from a variety of file paths, I'd like to know how I can solve this problem without simply jury rigging a run command. Is there a way to properly make commands available within an alter_state command without using the run command?


Thanks,
Stuart Ballard
Dept. of Biochemistry
UW-Madison