bugrelax - Bugs: bug #21615, Model-free analysis error -...

 
 
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bug #21615: Model-free analysis error - AttributeError when executing the dauvergne_protocol auto-analysis in the GUI.

Submitted by:  None
Submitted on:  Fri 07 Feb 2014 09:07:58 PM UTC  
 
Category: GUISpecific analysis category: Model-free analysis
Priority: 5 - NormalSeverity: 2 - Minor
Status: FixedAssigned to: Edward d Auvergne <bugman>
Originator Name: Ivan LeungOriginator Email: -unavailable-
Open/Closed: ClosedRelease: 3.1.5
Operating System: All systems

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Mon 10 Feb 2014 09:48:44 AM UTC, SVN revision 22168:

Merged revisions 22165-22166 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r22165 | bugman | 2014-02-10 10:37:53 +0100 (Mon, 10 Feb 2014) | 9 lines

Created the Mf.test_bug_21615_incomplete_setup_failure GUI tests.

This is designed to catch bug #21615 (https://gna.org/bugs/?21615) as reported by Ivan Leung
(ivanhoe dott leung att chem dott ox dot ac dot uk).

Included are the data files Ivan attached to the bug report truncated to two residues. The GUI test
follows exactly the steps outlined by Ivan.
........
r22166 | bugman | 2014-02-10 10:43:46 +0100 (Mon, 10 Feb 2014) | 10 lines

Fix for bug #21615, the missing data dialog failure when executing the GUI model-free analysis.

This is the bug at https://gna.org/bugs/?21615 as reported by Ivan Leung (ivanhoe dott leung att
chem dott ox dot ac dot uk).

The problem is that the spin container's "isotope" variable is being accessed directly after a test
showing that this variable does not exist. This is now fixed so that the missing data dialog is now
presented explaining that the spin isotope information is not set.
........

(Browse SVN revision 22168)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Mon 10 Feb 2014 09:43:46 AM UTC, SVN revision 22166:

Fix for bug #21615, the missing data dialog failure when executing the GUI model-free analysis.

This is the bug at https://gna.org/bugs/?21615 as reported by Ivan Leung (ivanhoe dott leung att
chem dott ox dot ac dot uk).

The problem is that the spin container's "isotope" variable is being accessed directly after a test
showing that this variable does not exist. This is now fixed so that the missing data dialog is now
presented explaining that the spin isotope information is not set.

(Browse SVN revision 22166)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Mon 10 Feb 2014 09:37:53 AM UTC, SVN revision 22165:

Created the Mf.test_bug_21615_incomplete_setup_failure GUI tests.

This is designed to catch bug #21615 (https://gna.org/bugs/?21615) as reported by Ivan Leung
(ivanhoe dott leung att chem dott ox dot ac dot uk).

Included are the data files Ivan attached to the bug report truncated to two residues. The GUI test
follows exactly the steps outlined by Ivan.

(Browse SVN revision 22165)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Mon 10 Feb 2014 09:17:50 AM UTC, comment #1:

This bug was first reported at http://thread.gmane.org/gmane.science.nmr.relax.user/1552. Many more details are included in the original message.

The error is:

Traceback (most recent call last):
File "C:\Users\ivanhoe.leung\Desktop\relax-
3.1.5\gui\analyses\auto_model_free.py", line 588, in execute
data, missing = self.assemble_data()
File "C:\Users\ivanhoe.leung\Desktop\relax-
3.1.5\gui\analyses\auto_model_free.py", line 416, in assemble_data
if spin.isotope in ['15N', '13C'] and (not hasattr(spin, 'csa') or
spin.csa == None):
AttributeError: 'SpinContainer' object has no attribute 'isotope'

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Fri 07 Feb 2014 09:07:58 PM UTC, original submission:

Dear Edward,

As requested from your email, please find attached the truncated relaxation lists and the pdb file.

Here are the steps I took initially:
(1) Load N, C, H from the pdb file using spin editor
(2) Add three relaxation data lists
(3) Click 'execute'

PS: The error message is cleared after I input information for dipolar and CSA relaxation mechanisms.

Thanks

Ivan

Anonymous

 

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Attached Files
file #19986:  T2_ForBugReport.txt added by None (50B - text/plain)
file #19987:  Truncated_ForBugReport.pdb added by None (3kB - application/octet-stream)
file #19988:  T1_ForBugReport.txt added by None (49B - text/plain)
file #19989:  NOE_ForBugReport.txt added by None (42B - text/plain)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by bugman (Updated the item)
  • -unavailable- added by None (Submitted the item)
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    Follow 12 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Mon 10 Feb 2014 09:45:15 AM UTCbugmanSeverity3 - Normal=>2 - Minor
      StatusIn Progress=>Fixed
      Open/ClosedOpen=>Closed
      SummaryModel-free analysis error (7 Feb 2014) - AttributeError when executing the dauvergne_protocol auto-analysis in the GUI.=>Model-free analysis error - AttributeError when executing the dauvergne_protocol auto-analysis in the GUI.
    Mon 10 Feb 2014 09:17:50 AM UTCbugmanSummaryModel-free analysis error (7 Feb 2014)=>Model-free analysis error (7 Feb 2014) - AttributeError when executing the dauvergne_protocol auto-analysis in the GUI.
    Mon 10 Feb 2014 09:14:57 AM UTCbugmanAssigned toNone=>bugman
      Operating SystemMicrosoft Windows=>All systems
    Mon 10 Feb 2014 09:14:56 AM UTCbugmanStatusNone=>In Progress
    Fri 07 Feb 2014 09:07:58 PM UTCNoneAttached File-=>Added T2_ForBugReport.txt, #19986
      Attached File-=>Added Truncated_ForBugReport.pdb, #19987
      Attached File-=>Added T1_ForBugReport.txt, #19988
      Attached File-=>Added NOE_ForBugReport.txt, #19989
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