r4481 - in /1.3/test_suite/system_tests: model_free.py scripts/opendx_s2_te_rex.py -- January 08, 2008 - 14:29

Author: bugman
Date: Tue Jan  8 14:29:05 2008
New Revision: 4481

URL: http://svn.gna.org/viewcvs/relax?rev=4481&view=rev
Log:
Shifted the contents of the test_opendx_s2_te_rex() system test into its own 
script.


Added:
    1.3/test_suite/system_tests/scripts/opendx_s2_te_rex.py
Modified:
    1.3/test_suite/system_tests/model_free.py

Modified: 1.3/test_suite/system_tests/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?rev=4481&r1=4480&r2=4481&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Tue Jan  8 14:29:05 2008
@@ -96,30 +96,9 @@
     def test_opendx_s2_te_rex(self):
         """Mapping the {S2, te, Rex} chi2 space through the OpenDX user 
function dx.map()."""
 
-        # Path of the files.
-        path = sys.path[-1] + 
'/test_suite/system_tests/data/model_free/S2_0.970_te_2048_Rex_0.149'
-
-        # Read the sequence.
-        self.relax.interpreter._Sequence.read(file='noe.500.out', dir=path)
-
-        # Read the relaxation data.
-        self.relax.interpreter._Relax_data.read('R1', '600', 600.0 * 1e6, 
'r1.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R2', '600', 600.0 * 1e6, 
'r2.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('NOE', '600', 600.0 * 1e6, 
'noe.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R1', '500', 500.0 * 1e6, 
'r1.500.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R2', '500', 500.0 * 1e6, 
'r2.500.out', dir=path)
-        self.relax.interpreter._Relax_data.read('NOE', '500', 500.0 * 1e6, 
'noe.500.out', dir=path)
-
-        # Setup other values.
-        self.relax.interpreter._Diffusion_tensor.init(1e-8, fixed=1)
-        self.relax.interpreter._Value.set([N15_CSA, NH_BOND_LENGTH], ['csa', 
'bond_length'])
-        self.relax.interpreter._Value.set('N', 'nucleus')
-
-        # Select the model.
-        self.relax.interpreter._Model_free.select_model(model='m4')
-
-        # Map the space.
-        self.relax.interpreter._OpenDX.map(params=['S2', 'te', 'Rex'], 
res_num=2, inc=2, lower=[0.0, 0, 0], upper=[1.0, 10000e-12, 3.0 / (2.0 * pi * 
600000000.0)**2], point=[0.970, 2048.0e-12, 0.149 / (2.0 * pi * 
600000000.0)**2], file='devnull', point_file='devnull')
+        # Execute the script.
+        
self.relax.interpreter.run(script_file='test_suite/system_tests/scripts/opendx_s2_te_rex.py')
+        raise NameError, "Hello"
 
 
     def test_opendx_theta_phi_da(self):

Added: 1.3/test_suite/system_tests/scripts/opendx_s2_te_rex.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/opendx_s2_te_rex.py?rev=4481&view=auto
==============================================================================
--- 1.3/test_suite/system_tests/scripts/opendx_s2_te_rex.py (added)
+++ 1.3/test_suite/system_tests/scripts/opendx_s2_te_rex.py Tue Jan  8 
14:29:05 2008
@@ -1,0 +1,33 @@
+"""Script for mapping the {S2, te, Rex} chi2 space for visualisation using 
OpenDX."""
+
+# Python module imports.
+import sys
+
+# relax module imports.
+from physical_constants import N15_CSA, NH_BOND_LENGTH
+
+
+# Path of the files.
+path = sys.path[-1] + 
'/test_suite/system_tests/data/model_free/S2_0.970_te_2048_Rex_0.149'
+
+# Read the sequence.
+sequence.read(file='noe.500.out', dir=path)
+
+# Read the relaxation data.
+relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', dir=path)
+relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', dir=path)
+relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', dir=path)
+relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', dir=path)
+relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', dir=path)
+relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', dir=path)
+
+# Setup other values.
+diffusion_tensor.init(1e-8, fixed=1)
+value.set([N15_CSA, NH_BOND_LENGTH], ['csa', 'bond_length'])
+value.set('N', 'nucleus')
+
+# Select the model.
+model_free.select_model(model='m4')
+
+# Map the space.
+dx.map(params=['S2', 'te', 'Rex'], res_num=2, inc=2, lower=[0.0, 0, 0], 
upper=[1.0, 10000e-12, 3.0 / (2.0 * pi * 600000000.0)**2], point=[0.970, 
2048.0e-12, 0.149 / (2.0 * pi * 600000000.0)**2], file='devnull', 
point_file='devnull')