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, <[EMAIL PROTECTED]> 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) > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits 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-commits > _______________________________________________ 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
