r2647 - /1.2/test_suite/model_free.py -- October 17, 2006 - 06:52

Author: bugman
Date: Tue Oct 17 06:52:03 2006
New Revision: 2647

URL: http://svn.gna.org/viewcvs/relax?rev=2647&view=rev
Log:
Speed ups for the optimisation tests in the test suite.

The grid search of each optimisation algorithm test has been replaced by the 
value setting function
as the results of the grid search are the same for each of the tests.  As the 
grid search is
computationally expensive, this significantly speeds up the tests.


Modified:
    1.2/test_suite/model_free.py

Modified: 1.2/test_suite/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.2/test_suite/model_free.py?rev=2647&r1=2646&r2=2647&view=diff
==============================================================================
--- 1.2/test_suite/model_free.py (original)
+++ 1.2/test_suite/model_free.py Tue Oct 17 06:52:03 2006
@@ -360,8 +360,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('bfgs', 'back', 
run=self.run)
@@ -407,8 +407,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('bfgs', 'mt', 
run=self.run)
@@ -454,8 +454,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('cd', 'back', 
max_iter=50, run=self.run)
@@ -501,8 +501,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('cd', 'mt', 
max_iter=50, run=self.run)
@@ -549,8 +549,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('newton', 'gmw', 
'back', run=self.run)
@@ -597,8 +597,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('newton', 'gmw', 'mt', 
run=self.run)
@@ -644,8 +644,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('sd', 'back', 
max_iter=50, run=self.run)
@@ -691,8 +691,8 @@
         # Setup the run for optimisation.
         self.opt_setup_S2_0_970_te_2048_Rex_0_149(run)
 
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(self.run, inc=11)
+        # Set up the initial model-free parameter values (bypass the grid 
search for speed).
+        self.relax.interpreter._Value.set(self.run, [1.0, 0.0, 0.0], ['S2', 
'te', 'Rex'])
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('sd', 'mt', 
max_iter=50, run=self.run)