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 <[EMAIL PROTECTED]> 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: [EMAIL PROTECTED] > 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 > [email protected] > > 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 > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] 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
