Hi Troels,
I was wondering if there was a need to alias the spin containers? You
might be able to simplify this into a total of three statements:
# Set up the guess values only for spins with keys in the data structure.
if spin_id in guess:
spin.kex = guess[spin_id][6]
spin.phi_ex = guess[spin_id][8]
Regards,
Edward
On 3 March 2014 12:48, <[email protected]> wrote:
> Author: tlinnet
> Date: Mon Mar 3 12:48:00 2014
> New Revision: 22396
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22396&view=rev
> Log:
> Assigned guess values for system test Relax_disp.test_r1rho_kjaergaard.
>
> Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in
> sparse acquired R1rho dataset with missing combinations of time and spin-lock
> field strengths.
>
> Modified:
> trunk/test_suite/system_tests/relax_disp.py
>
> Modified: trunk/test_suite/system_tests/relax_disp.py
> URL:
> http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=22396&r1=22395&r2=22396&view=diff
> ==============================================================================
> --- trunk/test_suite/system_tests/relax_disp.py (original)
> +++ trunk/test_suite/system_tests/relax_disp.py Mon Mar 3 12:48:00 2014
> @@ -2745,43 +2745,107 @@
> guess[':52@N'] = [52, 'V52N-HN', 1.0, 0.1, 6.00, 1.4, 10000.0,
> 2000.0, 90000.00, 30000.0]
> guess[':53@N'] = [53, 'A53N-HN', 1.0, 0.1, 4.00, 0.8, 10000.0,
> 2000.0, 30000.00, 10000.0]
>
> - # Alias spins
> + # Alias spins, and assign guess values.
> for spin, spin_id in spin_loop(return_id=True):
> if spin_id in cluster_ids:
> print("spin_id %s in cluster ids"%(spin_id))
>
> if spin_id == ':13@N':
> spin13 = return_spin(spin_id=spin_id)
> + spin13.kex = guess[spin_id][6]
> + spin13.phi_ex = guess[spin_id][8]
> elif spin_id == ':15@N':
> spin15 = return_spin(spin_id=spin_id)
> + spin15.kex = guess[spin_id][6]
> + spin15.phi_ex = guess[spin_id][8]
> elif spin_id == ':16@N':
> - spin16 = return_spin(spin_id=spin_id)
> + spin16 = return_spin(spin_id=spin_id)
> + spin16.kex = guess[spin_id][6]
> + spin16.phi_ex = guess[spin_id][8]
> elif spin_id == ':25@N':
> - spin25 = return_spin(spin_id=spin_id)
> + spin25 = return_spin(spin_id=spin_id)
> + spin25.kex = guess[spin_id][6]
> + spin25.phi_ex = guess[spin_id][8]
> elif spin_id == ':26@N':
> - spin26 = return_spin(spin_id=spin_id)
> + spin26 = return_spin(spin_id=spin_id)
> + spin26.kex = guess[spin_id][6]
> + spin26.phi_ex = guess[spin_id][8]
> elif spin_id == ':28@N':
> - spin28 = return_spin(spin_id=spin_id)
> + spin28 = return_spin(spin_id=spin_id)
> + spin28.kex = guess[spin_id][6]
> + spin28.phi_ex = guess[spin_id][8]
> elif spin_id == ':39@N':
> - spin39 = return_spin(spin_id=spin_id)
> + spin39 = return_spin(spin_id=spin_id)
> + spin39.kex = guess[spin_id][6]
> + spin39.phi_ex = guess[spin_id][8]
> elif spin_id == ':40@N':
> - spin40 = return_spin(spin_id=spin_id)
> + spin40 = return_spin(spin_id=spin_id)
> + spin40.kex = guess[spin_id][6]
> + spin40.phi_ex = guess[spin_id][8]
> elif spin_id == ':41@N':
> - spin41 = return_spin(spin_id=spin_id)
> + spin41 = return_spin(spin_id=spin_id)
> + spin41.kex = guess[spin_id][6]
> + spin41.phi_ex = guess[spin_id][8]
> elif spin_id == ':43@N':
> - spin43 = return_spin(spin_id=spin_id)
> + spin43 = return_spin(spin_id=spin_id)
> + spin43.kex = guess[spin_id][6]
> + spin43.phi_ex = guess[spin_id][8]
> elif spin_id == ':44@N':
> - spin44 = return_spin(spin_id=spin_id)
> + spin44 = return_spin(spin_id=spin_id)
> + spin44.kex = guess[spin_id][6]
> + spin44.phi_ex = guess[spin_id][8]
> elif spin_id == ':45@N':
> - spin45 = return_spin(spin_id=spin_id)
> + spin45 = return_spin(spin_id=spin_id)
> + spin45.kex = guess[spin_id][6]
> + spin45.phi_ex = guess[spin_id][8]
> elif spin_id == ':49@N':
> - spin49 = return_spin(spin_id=spin_id)
> + spin49 = return_spin(spin_id=spin_id)
> + spin49.kex = guess[spin_id][6]
> + spin49.phi_ex = guess[spin_id][8]
> elif spin_id == ':52@N':
> - spin52 = return_spin(spin_id=spin_id)
> + spin52 = return_spin(spin_id=spin_id)
> + spin52.kex = guess[spin_id][6]
> + spin52.phi_ex = guess[spin_id][8]
> elif spin_id == ':53@N':
> - spin53 = return_spin(spin_id=spin_id)
> + spin53 = return_spin(spin_id=spin_id)
> + spin53.kex = guess[spin_id][6]
> + spin53.phi_ex = guess[spin_id][8]
> else:
> print("spin_id %s NOT in cluster ids"%(spin_id))
> +
> + # Check the initial setup.
> + self.assertEqual(cdp.mol[0].res[7].num, 13)
> + self.assertEqual(cdp.mol[0].res[7].spin[0].kex, guess[':13@N'][6])
> + self.assertEqual(cdp.mol[0].res[9].num, 15)
> + self.assertEqual(cdp.mol[0].res[9].spin[0].kex, guess[':15@N'][6])
> + self.assertEqual(cdp.mol[0].res[10].num, 16)
> + self.assertEqual(cdp.mol[0].res[10].spin[0].kex, guess[':16@N'][6])
> + self.assertEqual(cdp.mol[0].res[16].num, 25)
> + self.assertEqual(cdp.mol[0].res[16].spin[0].kex, guess[':25@N'][6])
> + self.assertEqual(cdp.mol[0].res[17].num, 26)
> + self.assertEqual(cdp.mol[0].res[17].spin[0].kex, guess[':26@N'][6])
> + self.assertEqual(cdp.mol[0].res[19].num, 28)
> + self.assertEqual(cdp.mol[0].res[19].spin[0].kex, guess[':28@N'][6])
> + self.assertEqual(cdp.mol[0].res[29].num, 39)
> + self.assertEqual(cdp.mol[0].res[29].spin[0].kex, guess[':39@N'][6])
> + self.assertEqual(cdp.mol[0].res[30].num, 40)
> + self.assertEqual(cdp.mol[0].res[30].spin[0].kex, guess[':40@N'][6])
> + self.assertEqual(cdp.mol[0].res[31].num, 41)
> + self.assertEqual(cdp.mol[0].res[31].spin[0].kex, guess[':41@N'][6])
> + self.assertEqual(cdp.mol[0].res[33].num, 43)
> + self.assertEqual(cdp.mol[0].res[33].spin[0].kex, guess[':43@N'][6])
> + self.assertEqual(cdp.mol[0].res[34].num, 44)
> + self.assertEqual(cdp.mol[0].res[34].spin[0].kex, guess[':44@N'][6])
> + self.assertEqual(cdp.mol[0].res[35].num, 45)
> + self.assertEqual(cdp.mol[0].res[35].spin[0].kex, guess[':45@N'][6])
> + self.assertEqual(cdp.mol[0].res[35].num, 45)
> + self.assertEqual(cdp.mol[0].res[35].spin[0].kex, guess[':45@N'][6])
> + self.assertEqual(cdp.mol[0].res[38].num, 49)
> + self.assertEqual(cdp.mol[0].res[38].spin[0].kex, guess[':49@N'][6])
> + self.assertEqual(cdp.mol[0].res[41].num, 52)
> + self.assertEqual(cdp.mol[0].res[41].spin[0].kex, guess[':52@N'][6])
> + self.assertEqual(cdp.mol[0].res[42].num, 53)
> + self.assertEqual(cdp.mol[0].res[42].spin[0].kex, guess[':53@N'][6])
>
> # The dispersion models.
> MODELS = ['R2eff', 'DPL94']
>
>
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