r7022 - /1.3/test_suite/system_tests/scripts/palmer.py -- July 29, 2008 - 23:04

Author: semor
Date: Tue Jul 29 22:38:16 2008
New Revision: 7022

URL: http://svn.gna.org/viewcvs/relax?rev=7022&view=rev
Log:
Simplified the code by removing useless lines as well as converting one 
remaining flag to bool.


Modified:
    1.3/test_suite/system_tests/scripts/palmer.py

Modified: 1.3/test_suite/system_tests/scripts/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/palmer.py?rev=7022&r1=7021&r2=7022&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/palmer.py (original)
+++ 1.3/test_suite/system_tests/scripts/palmer.py Tue Jul 29 22:38:16 2008
@@ -31,9 +31,6 @@
         # Load the sequence.
         sequence.read(sys.path[-1] + 
'/test_suite/system_tests/data/jw_mapping/noe.dat')
 
-        # PDB.
-        #structure.read_pdb(name, 'Ap4Aase_new_3.pdb')
-
         # Load the relaxation data.
         relax_data.read('R1', '600', 600.0 * 1e6, sys.path[-1] + 
'/test_suite/system_tests/data/jw_mapping/R1.dat')
         relax_data.read('R2', '600', 600.0 * 1e6, sys.path[-1] + 
'/test_suite/system_tests/data/jw_mapping/R2.dat')
@@ -41,7 +38,7 @@
 
         # Setup other values.
         diffusion_tensor.init(1e-8)
-        value.set(NUCLEI, 'heteronucleus')
+        value.set('15N', 'heteronucleus')
         value.set(1.02 * 1e-10, 'bond_length')
         value.set(-172 * 1e-6, 'csa')
 
@@ -104,7 +101,7 @@
     name = 'aic'
 
     # Let the diffusion tensor parameters be optimised.
-    fix(name, 'diff', 0)
+    fix(name, 'diff', False)
 
     # Create the Modelfree4 files (change sims as needed, see below).
     palmer.create(dir='final', force=True, sims=0)
@@ -122,9 +119,6 @@
 # Main section of the script.
 #############################
 
-# Nuclei type.
-NUCLEI = '15N'
-
 # Set the run name (also the name of a preset model-free model).
 runs = ['m1', 'm2', 'm3']
 
@@ -132,5 +126,3 @@
 exec_stage_1(runs)
 exec_stage_2(runs)
 exec_stage_3()
-
-# Either repeat all the above with the optimised diffusion tensor or run 
Monte Carlo simulations on the final results.