Hi,
I would suggest the following. This would be the simplest solution.
If we leave the relax_fit.read() function as it is we can just call it
a few times, e.g.:
relax> relax_fit.read(file='xeasy_r1_20ms.text',
dir='test_suite/shared_data/peak_lists', relax_time=0.02,
format='xeasy', heteronuc='N', proton='HN')
relax> relax_fit.read(file='xeasy_r1_20ms.text',
dir='test_suite/shared_data/peak_lists', relax_time=0.02,
format='xeasy', heteronuc='HE1', proton='NE1')
This will load the intensities for the different spin systems. This
could be included in the system test to see if it will work. The
additional spins will need to be created. Oh, the carbon entries in
this test peak list are obvious errors to try to trip the system test.
Regards,
Edward
On Thu, Oct 16, 2008 at 5:02 AM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Thu Oct 16 05:02:11 2008
New Revision: 7743
URL: http://svn.gna.org/viewcvs/relax?rev=7743&view=rev
Log:
Added more to the XEasy support test.
Now, the test fails when reaching the first residue with a non HN/N
assignment. In fact, the reading
of this residue is fine, but no intensity is extracted... hence the failure
of the test.
Now, what do we want to do ? Do we want to support side chain assignments
mixed with backbone
assignments ? In other words, do we want to support multiuple assignment
types in a single
analysis ?
Modified:
1.3/test_suite/system_tests/peak_lists.py
Modified: 1.3/test_suite/system_tests/peak_lists.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/peak_lists.py?rev=7743&r1=7742&r2=7743&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/peak_lists.py (original)
+++ 1.3/test_suite/system_tests/peak_lists.py Thu Oct 16 05:02:11 2008
@@ -155,3 +155,10 @@
# Test the data.
self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0][0],
9.714e+03)
self.assertEqual(cdp.mol[0].res[1].spin[0].intensities[0][0],
7.919e+03)
+ self.assertEqual(cdp.mol[0].res[2].spin[0].intensities[0][0],
1.356e+04)
+ self.assertEqual(cdp.mol[0].res[3].spin[0].intensities[0][0],
9.884e+03)
+ self.assertEqual(cdp.mol[0].res[4].spin[0].intensities[0][0],
2.041e+04)
+ self.assertEqual(cdp.mol[0].res[5].spin[0].intensities[0][0],
9.305e+03)
+ self.assertEqual(cdp.mol[0].res[6].spin[0].intensities[0][0],
3.154e+04)
+ self.assertEqual(cdp.mol[0].res[7].spin[0].intensities[0][0],
9.180e+03)
+ self.assertEqual(cdp.mol[0].res[8].spin[0].intensities[0][0],
1.532e+04)
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Re: r7743 - /1.3/test_suite/system_tests/peak_lists.py