r19761 - /branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py -- May 28, 2013 - 17:48

Author: bugman
Date: Tue May 28 17:48:45 2013
New Revision: 19761

URL: http://svn.gna.org/viewcvs/relax?rev=19761&view=rev
Log:
A script has been added to create the NESSY input for Flemming Hansen's CPMG 
data.


Added:
    
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py
      - copied, changed from r19757, 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/cpmgfit.py

Copied: 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py
 (from r19757, 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/cpmgfit.py)
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py?p2=branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py&p1=branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/cpmgfit.py&r1=19757&r2=19761&rev=19761&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/cpmgfit.py
 (original)
+++ 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/nessy_results/nessy_save_file.py
 Tue May 28 17:48:45 2013
@@ -1,8 +1,8 @@
-"""Script for calculating R2eff values, generating input files for CPMGFit, 
and executing CPMGFit.
+"""Script for generating a NESSY save file from within relax.
 
 To run:
 
-$ ../../../../../relax cpmgfit.py
+$ ../../../../../relax nessy_save_file.py --tee nessy_save_file.log
 """
 
 # Python module imports.
@@ -16,11 +16,5 @@
 data_path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Hansen'
 state.load(data_path+sep+'r2eff_values')
 
-# Set up the model.
-relax_disp.select_model('LM63')
-
 # Generate the input files.
-relax_disp.cpmgfit_input(force=True)
-
-# Execute CPMGFit.
-relax_disp.cpmgfit_execute()
+relax_disp.nessy_input(force=True)