Re: [bug #11383] calling relax_data.display fails -- March 27, 2008

Hi,

Note that I've always known this user function to be broken and the
fix is not trivial.  I was planning on deleting this function rather
than attempting to design a solution.  Alternatively the
relax_data.write() user function can be used.

Actually now I see the possibility of a relative simple fix.  This
could be possible thanks to changes in relax subsequent to when I
first noticed the bug.  I might try this tomorrow when I have time.

Cheers,

Edward


On Thu, Mar 27, 2008 at 5:32 PM, anonymous
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:


 URL:
  <http://gna.org/bugs/?11383>

                 Summary: calling relax_data.display fails
                 Project: relax
            Submitted by: None
            Submitted on: Thursday 03/27/2008 at 17:32 CET
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: Ryan MB Hoffman
        Originator Email: rmb.hoffman@xxxxxxxxx
             Open/Closed: Open
         Discussion Lock: Any
                 Release: Repository: 1.2 line
        Operating System: GNU/Linux

    _______________________________________________________

 Details:

 Following the resolution of bug 11378, I tried to output the 
back-calculated
 R2s. Below is an excerpt from the session. The complete script is attached 
as
 is an input PDB.

 relax> model_free.create_model(run='dummyMF', model='m1', 
equation='mf_orig',
 params=['S2'], res_num=None)

 relax> diffusion_tensor.init(run='dummyMF', params=(2405000.0, 2463000.0,
 7986000.0, 80, 80, 60), time_scale=1.0, d_scale=1.0, angle_units='deg',
 param_types=2, spheroid_type=None, fixed=1)

 relax> nuclei(heteronuc='N')

 relax> value.set(run='dummyMF', value=-0.00017199999999999998, param='csa',
 res_num=None, res_name=None)

 relax> value.set(run='dummyMF', value=1.0200000000000001e-10, param='r',
 res_num=None, res_name=None)

 relax> value.set(run='dummyMF', value=0.80000000000000004, param='S2',
 res_num=None, res_name=None)

 relax> relax_data.back_calc(run='dummyMF', ri_label='R2', frq_label='800',
 frq=800.0)

 relax> relax_data.display(run='dummyMF', ri_label='R2', frq_label='800')

 Traceback (most recent call last):

 [...portion excluded...]
   relax_data.display(run='dummyMF',ri_label='R2',frq_label='800')
  File "/home/user/bin/relax-1.2.12/prompt/relax_data.py", line 243, in
 display
    self.__relax__.specific.relax_data.display(run=run, ri_label=ri_label,
 frq_label=frq_label)
  File "/home/user/bin/relax-1.2.12/specific_fns/relax_data.py", line 500, 
in
 display
   self.relax.generic.value.write_data(self.run, (self.ri_label,
 self.frq_label), sys.stdout, return_value=self.return_value)
 TypeError: write_data() takes at most 3 non-keyword arguments (4 given)





    _______________________________________________________

 File Attachments:


 -------------------------------------------------------
 Date: Thursday 03/27/2008 at 17:32 CET  Name: bug2.rlx  Size: 678B   By: 
None

 <http://gna.org/bugs/download.php?file_id=4058>
 -------------------------------------------------------
 Date: Thursday 03/27/2008 at 17:32 CET  Name: bugdemo2.pdb  Size: 3kB   By:
 None

 <http://gna.org/bugs/download.php?file_id=4059>

    _______________________________________________________

 Reply to this item at:

  <http://gna.org/bugs/?11383>

 _______________________________________________
  Message sent via/by Gna!
  http://gna.org/


 _______________________________________________
 relax (http://nmr-relax.com)

 This is the relax-devel mailing list
 relax-devel@xxxxxxx

 To unsubscribe from this list, get a password
 reminder, or change your subscription options,
 visit the list information page at
 https://mail.gna.org/listinfo/relax-devel

Re: [bug #11383] calling relax_data.display fails

Header

Content

Related Messages