Author: tlinnet
Date: Tue Apr 29 15:04:02 2014
New Revision: 22874
URL: http://svn.gna.org/viewcvs/relax?rev=22874&view=rev
Log:
Fixes for full-stop in systemtests.
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=22874&r1=22873&r2=22874&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Tue Apr 29 15:04:02 2014
@@ -3629,72 +3629,72 @@
select_spin_index = range(0,2)
self.setup_sod1wt_t25(pipe_name=pipe_name, pipe_type=pipe_type,
pipe_name_r2eff=pipe_name_r2eff, select_spin_index=select_spin_index)
- # Generate r20 keu
+ # Generate r20 keu.
r20_key_600 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ,
frq=599.8908617*1E6)
r20_key_500 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ,
frq=499.862139*1E6)
- ## Now prepare for MODEL calculation
+ ## Now prepare for MODEL calculation.
MODEL = "CR72"
- # Change pipe
+ # Change pipe.
pipe_name_MODEL = "%s_%s"%(pipe_name, MODEL)
self.interpreter.pipe.copy(pipe_from=pipe_name_r2eff,
pipe_to=pipe_name_MODEL)
self.interpreter.pipe.switch(pipe_name=pipe_name_MODEL)
- # Then select model
+ # Then select model.
self.interpreter.relax_disp.select_model(model=MODEL)
# GRID inc of 7 was found to be appropriate not to find pA=0.5.
GRID_INCS = [7]
#GRID_INCS = [3, 5, 7, 9, 11, 13, 19, 21]
- # Store grid and minimisations results
+ # Store grid and minimisations results.
grid_results = []
mini_results = []
for i in range(len(GRID_INCS)):
GRID_INC = GRID_INCS[i]
- # Perform Grid Search
+ # Perform Grid Search.
self.interpreter.grid_search(lower=None, upper=None,
inc=GRID_INC, constraints=True, verbosity=1)
- # Print info out
+ # Print info out.
for spin, mol_name, resi, resn, spin_id in
spin_loop(full_info=True, return_id=True, skip_desel=True):
- # Print info
+ # Print info.
print("INC=%i r2600=%2.2f r2500=%2.2f dw=%1.1f pA=%1.3f
kex=%3.2f spin_id=%s resi=%i resn=%s"%(GRID_INC, spin.r2[r20_key_600],
spin.r2[r20_key_500], spin.dw, spin.pA, spin.kex, spin_id, resi, resn))
- # Store grid results
+ # Store grid results.
grid_results.append([spin.r2[r20_key_600],
spin.r2[r20_key_500], spin.dw, spin.pA, spin.kex, spin_id, resi, resn])
- # Resetting back to nothing
+ # Resetting back to nothing.
if i != len(GRID_INCS)-1:
print("Resetting values")
spin.kex, spin.pA, spin.dw, spin.r2[r20_key_500],
spin.r2[r20_key_600] = None, None, None, None, None
- ## Now do minimisation
+ ## Now do minimisation.
self.interpreter.minimise(min_algor='simplex', func_tol=1e-10,
max_iter=100000, constraints=True, scaling=True, verbosity=1)
- ## Now test values
+ ## Now test values.
for spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True,
return_id=True, skip_desel=True):
# Print info
print("r2600=%2.2f r2500=%2.2f dw=%1.1f pA=%1.3f kex=%3.2f
spin_id=%s resi=%i resn=%s"%(spin.r2[r20_key_600], spin.r2[r20_key_500],
spin.dw, spin.pA, spin.kex, spin_id, resi, resn))
- # Store minimisation results
+ # Store minimisation results.
mini_results.append([spin.r2[r20_key_600], spin.r2[r20_key_500],
spin.dw, spin.pA, spin.kex, spin_id, resi, resn])
- # Make tests
+ # Make tests.
for i in range(len(grid_results)):
- # Get values
+ # Get values.
g_r2_600, g_r2_500, g_dw, g_pA, g_kex, g_spin_id, g_resi, g_resn
= grid_results[i]
m_r2_600, m_r2_500, m_dw, m_pA, m_kex, m_spin_id, m_resi, m_resn
= mini_results[i]
print("GRID r2600=%2.2f r2500=%2.2f dw=%1.1f pA=%1.3f kex=%3.2f
spin_id=%s resi=%i resn=%s"%(g_r2_600, g_r2_500, g_dw, g_pA, g_kex,
g_spin_id, g_resi, g_resn))
print("MIN r2600=%2.2f r2500=%2.2f dw=%1.1f pA=%1.3f kex=%3.2f
spin_id=%s resi=%i resn=%s"%(m_r2_600, m_r2_500, m_dw, m_pA, m_kex,
m_spin_id, m_resi, m_resn))
- # Make tests
+ # Make tests.
self.assert_(m_kex > 1000.)
- # Save disp graph to temp
- #self.interpreter.relax_disp.plot_disp_curves(dir="~"+sep+"test",
num_points=1000, extend=500.0, force=True)
+ # Save disp graph to temp.
+ #self.interpreter.relax_disp.plot_disp_curves(dir="~"+sep+"test",
num_points=1000, extend=500.0, force=True).
def test_sprangers_data_to_mmq_cr72(self, model=None):
r22874 - /trunk/test_suite/system_tests/relax_disp.py