mailRe: r10930 - /branches/bieri_gui/auto_analyses/relax_fit.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Michael Bieri on February 26, 2010 - 00:23:
So best will be that the GUI creates a unresolved file in the results directory (either empty or with the spins). Then, there will be no confusions.

What you think about it?


Edward d'Auvergne schrieb:
For this commit, it should be changed.  If the unresolved file is not
provided, please pass in None to the class.  The user function expects
a file here (or a file object).  Therefore it is up to the GUI code to
provide a file object with this info.  This is part of keeping clean
APIs.  It is the duty of the calling code (GUI here) to provide what
the API expects.  You can use relax_io.DummyFileObject for this
purpose.  The code in auto_analyses/relax_fit.py should read (in the
1.3 line):

if self.unresolved:
    self.interpreter.deselect.read(file=self.unresolved)

Cheers,

Edward


On 25 February 2010 05:50,  <michael.bieri@xxxxxx> wrote:
Author: michaelbieri
Date: Thu Feb 25 05:50:48 2010
New Revision: 10930

URL: http://svn.gna.org/viewcvs/relax?rev=10930&view=rev
Log:
No spins are deselected if no spins / residues are indicated.

A fix has to be done if spins /residues are deselcted. Best will be to create 
a file listing these residues / spins.

Modified:
   branches/bieri_gui/auto_analyses/relax_fit.py

Modified: branches/bieri_gui/auto_analyses/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10930&r1=10929&r2=10930&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/relax_fit.py (original)
+++ branches/bieri_gui/auto_analyses/relax_fit.py Thu Feb 25 05:50:48 2010
@@ -120,7 +120,10 @@
        self.interpreter.spectrum.error_analysis()

        # Deselect unresolved spins.
-        self.interpreter.deselect.read(file='unresolved')
+        if self.unresolved == '':
+            print ''
+        else:
+            self.interpreter.deselect.read(file='unresolved') # FIXME. relax 
should read the list without creating a file

        # Set the relaxation curve type.
        self.interpreter.relax_fit.select_model('exp')


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

This is the relax-commits mailing list
relax-commits@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-commits


_______________________________________________
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




Related Messages


Powered by MHonArc, Updated Fri Feb 26 10:00:19 2010