Author: bugman
Date: Wed Oct 22 11:02:30 2014
New Revision: 26338
URL: http://svn.gna.org/viewcvs/relax?rev=26338&view=rev
Log:
Clean up and speed up of the N_state_model.test_CaM_IQ_tensor_fit system test.
All output files are now set to 'devnull' so that the system test no longer
creates any files within
the relax source directories. And the optimisation settings have been
decreased to hugely speed up
the system test.
Modified:
trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py
Modified:
trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py?rev=26338&r1=26337&r2=26338&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py
(original)
+++ trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py
Wed Oct 22 11:02:30 2014
@@ -77,20 +77,20 @@
# Tensor optimisation.
print("\n\n# Tensor optimisation.\n\n")
-minimise.grid_search(inc=5)
+minimise.grid_search(inc=3)
minimise.execute('newton', constraints=False)
-state.save('tensor_only_fit', force=True)
+state.save('devnull', force=True)
# PCS structural noise.
print("\n\n# Tensor optimisation with PCS structural noise.\n\n")
-pcs.structural_noise(rmsd=0.3, sim_num=10000, file='structural_noise.agr',
force=True)
+pcs.structural_noise(rmsd=0.3, sim_num=100, file='devnull', force=True)
# Optimisation of everything.
paramag.centre(fix=False)
minimise.execute('bfgs', constraints=False)
# Monte Carlo simulations.
-monte_carlo.setup(number=500)
+monte_carlo.setup(number=3)
monte_carlo.create_data()
monte_carlo.initial_values()
minimise.execute('bfgs', constraints=False)
@@ -104,8 +104,8 @@
pcs.calc_q_factors()
# Correlation plots.
-rdc.corr_plot(file="rdc_corr.agr", force=True)
-pcs.corr_plot(file="pcs_corr.agr", force=True)
+rdc.corr_plot(file="devnull", force=True)
+pcs.corr_plot(file="devnull", force=True)
# Save the program state.
-state.save('tensor_fit', force=True)
+state.save('devnull', force=True)
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