r20729 - in /branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02: r2eff_calc.py r2eff_values.bz2 -- August 30, 2013 - 15:30

Author: bugman
Date: Fri Aug 30 15:30:41 2013
New Revision: 20729

URL: http://svn.gna.org/viewcvs/relax?rev=20729&view=rev
Log:
Created a save file for the r1rho_off_res_tp02 dispersion data optimised to 
the R2eff model.

This will be used for faster system tests.


Added:
    
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.py
      - copied, changed from r20719, 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
    
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2
   (with props)

Copied: 
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.py
 (from r20719, 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py)
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.py?p2=branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.py&p1=branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py&r1=20719&r2=20729&rev=20729&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
 (original)
+++ 
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.py
 Fri Aug 30 15:30:41 2013
@@ -1,5 +1,4 @@
-# Optimise the R1rho on-resonance synthetic data using the DPL94 model.
-
+# Script for generating a save file of the R2eff fitted model.
 
 # Python module imports.
 from os import sep
@@ -14,28 +13,24 @@
 #####################
 
 # The dispersion models.
-MODELS = ['R2eff', 'TP02']
+MODELS = ['R2eff']
 
 # The grid search size (the number of increments per dimension).
-GRID_INC = 4
+GRID_INC = 10
 
 # The number of Monte Carlo simulations to be used for error analysis at the 
end of the analysis.
-MC_NUM = 3
+MC_NUM = 500
 
 
 # Set up the data pipe.
 #######################
-
-# The results directory.
-if not hasattr(ds, 'tmpdir'):
-    ds.tmpdir = None
 
 # Create the data pipe.
 pipe_name = 'base pipe'
 pipe_bundle = 'relax_disp'
 pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_disp')
 
-# The path to the data files (use the M61 model data for now).
+# The path to the data files.
 data_path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'r1rho_off_res_tp02'
 
 # Create the sequence data.
@@ -104,12 +99,8 @@
 # Auto-analysis execution.
 ##########################
 
-# Run faster.
-Relax_disp.opt_func_tol = 1e-10
-Relax_disp.opt_max_iterations = 10000
-
 # Do not change!
-Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, 
results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM)
+Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, results_dir='.', 
models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM)
 
 # Save the program state.
-state.save('devnull', force=True)
+state.save('r2eff_values', force=True)

Added: 
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2?rev=20729&view=auto
==============================================================================
Binary file - no diff available.

Propchange: 
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2
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    svn:mime-type = application/octet-stream