r11162 - /1.3/test_suite/system_tests/scripts/n_state_model/populations.py -- April 28, 2010 - 11:26

Author: bugman
Date: Wed Apr 28 11:26:03 2010
New Revision: 11162

URL: http://svn.gna.org/viewcvs/relax?rev=11162&view=rev
Log:
The weights of each state are now set to equal probability prior to the 
'population' opt.

This is in the 'population' N-state model system test script.


Modified:
    1.3/test_suite/system_tests/scripts/n_state_model/populations.py

Modified: 1.3/test_suite/system_tests/scripts/n_state_model/populations.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/n_state_model/populations.py?rev=11162&r1=11161&r2=11162&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/n_state_model/populations.py 
(original)
+++ 1.3/test_suite/system_tests/scripts/n_state_model/populations.py Wed Apr 
28 11:26:03 2010
@@ -13,7 +13,8 @@
 pipe.create('populations', 'N-state')
 
 # Load the structures.
-for i in range(1, 4):
+NUM_STR = 3
+for i in range(1, NUM_STR+1):
     structure.read_pdb(file='lactose_MCMM4_S1_%i.pdb' % i, dir=str_path, 
set_model_num=i, set_mol_name='LE')
 
 # Load the sequence information.
@@ -66,6 +67,10 @@
 # Switch to the population model.
 n_state_model.select_model(model='population')
 
+# Set to equal probabilities.
+for j in xrange(NUM_STR):
+    value.set(1.0/NUM_STR, 'p'+repr(j))
+
 # Minimisation.
 minimise('newton', constraints=True)