Re: r8090 - /branches/spectral_errors/test_suite/system_tests/peak_lists.py -- December 01, 2008 - 20:53

Hi,

That quickly fixed that system test!  As for reading differently named
protons and nitrogens, multiple calls to spectrum.read_intensities()
changing the proton and heteronucleus names each time is necessary.
This allows a 'HN-N' and a 'HE1 - NE1' intensity to be loaded into
different nitrogen spins for the same residue.

Regards,

Edward


On Mon, Dec 1, 2008 at 8:23 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> Author: semor
> Date: Mon Dec  1 20:23:44 2008
> New Revision: 8090
>
> URL: http://svn.gna.org/viewcvs/relax?rev=8090&view=rev
> Log:
> Continued to add tests for the reading of an XEasy peak list.
>
> Commented lines (154, 159, 162) refer to spins different than standard 
> backbone amides (HN - N),
> i.e.   HE1 - NE1
>       HN  - C
>       HE1 - C
>
> Not sure yet how to implement the reading of these...
>
>
> Modified:
>    branches/spectral_errors/test_suite/system_tests/peak_lists.py
>
> Modified: branches/spectral_errors/test_suite/system_tests/peak_lists.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/spectral_errors/test_suite/system_tests/peak_lists.py?rev=8090&r1=8089&r2=8090&view=diff
> ==============================================================================
> --- branches/spectral_errors/test_suite/system_tests/peak_lists.py 
> (original)
> +++ branches/spectral_errors/test_suite/system_tests/peak_lists.py Mon Dec  
> 1 20:23:44 2008
> @@ -151,4 +151,17 @@
>         self.assertEqual(cdp.mol[0].res[5].spin[0].intensities[0], 
> 9.305e+03)
>         self.assertEqual(cdp.mol[0].res[6].spin[0].intensities[0], 
> 3.154e+04)
>         self.assertEqual(cdp.mol[0].res[7].spin[0].intensities[0], 
> 9.180e+03)
> -        self.assertEqual(cdp.mol[0].res[8].spin[0].intensities[0], 
> 1.532e+04)
> +        #self.assertEqual(cdp.mol[0].res[8].spin[0].intensities[0], 
> 1.532e+04)
> +        self.assertEqual(cdp.mol[0].res[9].spin[0].intensities[0], 
> 1.104e+04)
> +        self.assertEqual(cdp.mol[0].res[10].spin[0].intensities[0], 
> 7.680e+03)
> +        self.assertEqual(cdp.mol[0].res[11].spin[0].intensities[0], 
> 5.206e+03)
> +        self.assertEqual(cdp.mol[0].res[12].spin[0].intensities[0], 
> 2.863e+04)
> +        #self.assertEqual(cdp.mol[0].res[13].spin[0].intensities[0], 
> 6.877e+03)
> +        self.assertEqual(cdp.mol[0].res[14].spin[0].intensities[0], 
> 9.271e+03)
> +        self.assertEqual(cdp.mol[0].res[15].spin[0].intensities[0], 
> 7.919e+03)
> +        #self.assertEqual(cdp.mol[0].res[15].spin[1].intensities[0], 
> 7.123e+03)
> +        self.assertEqual(cdp.mol[0].res[16].spin[0].intensities[0], 
> 9.962e+03)
> +        self.assertEqual(cdp.mol[0].res[17].spin[0].intensities[0], 
> 1.260e+04)
> +        self.assertEqual(cdp.mol[0].res[18].spin[0].intensities[0], 
> 1.545e+04)
> +        self.assertEqual(cdp.mol[0].res[19].spin[0].intensities[0], 
> 1.963e+04)
> +        self.assertEqual(cdp.mol[0].res[20].spin[0].intensities[0], 
> 1.918e+04)
>
>
> _______________________________________________
> 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