Author: tlinnet
Date: Tue May 6 17:28:20 2014
New Revision: 23021
URL: http://svn.gna.org/viewcvs/relax?rev=23021&view=rev
Log:
Finished systemtest Relax_disp.test_baldwin_synthetic.
This proves that model B14 whereby the simplification R20A = R20B is assumed
is successfully implemented.
sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014)
B14 model - 2-site exact solution model for all time scales.
This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging
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=23021&r1=23020&r2=23021&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Tue May 6 17:28:20 2014
@@ -569,17 +569,13 @@
if "r2a" in MODEL_PARAMS[MODEL]:
g_r2a, g_r2b, g_dw, g_pA, g_kex, g_chi2, g_spin_id, g_resi,
g_resn = grid_results[i]
m_r2a, m_r2b, m_dw, m_pA, m_kex, m_chi2, m_spin_id, m_resi,
m_resn = mini_results[i]
- c_r2a, c_r2b, c_dw, c_pA, c_kex, c_chi2, c_spin_id, c_resi,
c_resn = clust_results[i]
print("GRID %s r2a=%2.4f r2b=%2.4f dw=%1.4f pA=%1.4f
kex=%3.4f chi2=%3.4f spin_id=%s resi=%i resn=%s"%(g_spin_id, g_r2a, g_r2b,
g_dw, g_pA, g_kex, g_chi2, g_spin_id, g_resi, g_resn))
print("MIN %s r2b=%2.4f r2b=%2.4f dw=%1.4f pA=%1.4f
kex=%3.4f chi2=%3.4f spin_id=%s resi=%i resn=%s"%(m_spin_id, m_r2a, m_r2b,
m_dw, m_pA, m_kex, m_chi2, m_spin_id, m_resi, m_resn))
- print("CLUS %s r2a=%2.4f r2b=%2.4f dw=%1.4f pA=%1.4f
kex=%3.4f chi2=%3.4f spin_id=%s resi=%i resn=%s\n"%(c_spin_id, c_r2a, c_r2b,
c_dw, c_pA, c_kex, c_chi2, c_spin_id, c_resi, c_resn))
else:
g_r2, g_dw, g_pA, g_kex, g_chi2, g_spin_id, g_resi, g_resn =
grid_results[i]
m_r2, m_dw, m_pA, m_kex, m_chi2, m_spin_id, m_resi, m_resn =
mini_results[i]
- c_r2, c_dw, c_pA, c_kex, c_chi2, c_spin_id, c_resi, c_resn =
clust_results[i]
print("GRID %s r2=%2.4f dw=%1.4f pA=%1.4f kex=%3.4f
chi2=%3.4f spin_id=%s resi=%i resn=%s"%(g_spin_id, g_r2, g_dw, g_pA, g_kex,
g_chi2, g_spin_id, g_resi, g_resn))
print("MIN %s r2=%2.4f dw=%1.4f pA=%1.4f kex=%3.4f
chi2=%3.4f spin_id=%s resi=%i resn=%s"%(m_spin_id, m_r2, m_dw, m_pA, m_kex,
m_chi2, m_spin_id, m_resi, m_resn))
- print("CLUS %s r2=%2.4f dw=%1.4f pA=%1.4f kex=%3.4f
chi2=%3.4f spin_id=%s resi=%i resn=%s\n"%(c_spin_id, c_r2, c_dw, c_pA, c_kex,
c_chi2, c_spin_id, c_resi, c_resn))
# Test the parameters which created the data.
# This is for the 1H spin.
r23021 - /trunk/test_suite/system_tests/relax_disp.py