Author: bugman
Date: Mon Apr 17 12:29:30 2006
New Revision: 2483
URL: http://svn.gna.org/viewcvs/relax?rev=2483&view=rev
Log:
Added two more OpenDX mapping tests to the test suite.
The parameters mapped in the new tests are {theta, phi, Da} and {tm, S2, te}.
Modified:
1.2/test_suite/model_free.py
1.2/test_suite/test_suite.py
Modified: 1.2/test_suite/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/model_free.py?rev=2483&r1=2482&r2=2483&view=diff
==============================================================================
--- 1.2/test_suite/model_free.py (original)
+++ 1.2/test_suite/model_free.py Mon Apr 17 12:29:30 2006
@@ -87,12 +87,28 @@
self.test = self.read_results
# OpenDX {S2, te, Rex} mapping test.
- if test_name == 'opendx {s2, te, Rex} map':
+ if test_name == 'opendx {S2, te, Rex} map':
# The name of the test.
self.name = "Mapping the {S2, te, Rex} chi2 space through the
OpenDX user function dx.map()"
# The test.
self.test = self.opendx_s2_te_rex
+
+ # OpenDX {theta, phi, Da} mapping test.
+ if test_name == 'opendx {theta, phi, Da} map':
+ # The name of the test.
+ self.name = "Mapping the {theta, phi, Da} chi2 space through the
OpenDX user function dx.map()"
+
+ # The test.
+ self.test = self.opendx_theta_phi_da
+
+ # OpenDX {tm, S2, te} mapping test.
+ if test_name == 'opendx {tm, S2, te} map':
+ # The name of the test.
+ self.name = "Mapping the {tm, S2, te} chi2 space through the
OpenDX user function dx.map()"
+
+ # The test.
+ self.test = self.opendx_tm_s2_te
def create_m4(self, run):
@@ -160,7 +176,84 @@
self.relax.interpreter._Model_free.select_model(self.run, model='m4')
# Map the space.
- self.relax.interpreter._OpenDX.map(self.run, params=['S2', 'te',
'Rex'], res_num=2, inc=3, 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')
+ self.relax.interpreter._OpenDX.map(self.run, 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')
+
+ return 1
+
+
+ def opendx_theta_phi_da(self, run):
+ """The OpenDX {theta, phi, Da} mapping test."""
+
+ # Arguments.
+ self.run = run
+
+ # Create the run.
+ self.relax.generic.runs.create(self.run, 'mf')
+
+ # Path of the files.
+ path = sys.path[-1] +
'/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149'
+
+ # Nuclei type
+ self.relax.interpreter._Nuclei.nuclei('N')
+
+ # Read the sequence.
+ self.relax.interpreter._Sequence.read(self.run, file='noe.500.out',
dir=path)
+
+ # Read the relaxation data.
+ self.relax.interpreter._Relax_data.read(self.run, 'R1', '600', 600.0
* 1e6, 'r1.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R2', '600', 600.0
* 1e6, 'r2.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'NOE', '600',
600.0 * 1e6, 'noe.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R1', '500', 500.0
* 1e6, 'r1.500.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R2', '500', 500.0
* 1e6, 'r2.500.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'NOE', '500',
500.0 * 1e6, 'noe.500.out', dir=path)
+
+ # Setup other values.
+ self.relax.interpreter._Diffusion_tensor.init(self.run, (1.601 *
1e7, 1.34, 72.4, 90-77.9), param_types=4)
+ self.relax.interpreter._Value.set(self.run, [-170 * 1e-6, 1.02 *
1e-10], ['csa', 'bond_length'])
+
+ # Select the model.
+ self.relax.interpreter._Model_free.select_model(self.run, model='m4')
+
+ # Map the space.
+ self.relax.interpreter._OpenDX.map(self.run, params=['theta', 'phi',
'Da'], res_num=2, inc=2, lower=[0, 0, -0.5*1e7], upper=[pi, 2.0*pi, 1.0*1e7],
file='devnull')
+
+ return 1
+
+
+ def opendx_tm_s2_te(self, run):
+ """The OpenDX {tm, S2, te} mapping test."""
+
+ # Arguments.
+ self.run = run
+
+ # Create the run.
+ self.relax.generic.runs.create(self.run, 'mf')
+
+ # Path of the files.
+ path = sys.path[-1] +
'/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149'
+
+ # Nuclei type
+ self.relax.interpreter._Nuclei.nuclei('N')
+
+ # Read the sequence.
+ self.relax.interpreter._Sequence.read(self.run, file='noe.500.out',
dir=path)
+
+ # Read the relaxation data.
+ self.relax.interpreter._Relax_data.read(self.run, 'R1', '600', 600.0
* 1e6, 'r1.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R2', '600', 600.0
* 1e6, 'r2.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'NOE', '600',
600.0 * 1e6, 'noe.600.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R1', '500', 500.0
* 1e6, 'r1.500.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'R2', '500', 500.0
* 1e6, 'r2.500.out', dir=path)
+ self.relax.interpreter._Relax_data.read(self.run, 'NOE', '500',
500.0 * 1e6, 'noe.500.out', dir=path)
+
+ # Setup other values.
+ self.relax.interpreter._Value.set(self.run, [-170 * 1e-6, 1.02 *
1e-10], ['csa', 'bond_length'])
+
+ # Select the model.
+ self.relax.interpreter._Model_free.select_model(self.run,
model='tm2')
+
+ # Map the space.
+ self.relax.interpreter._OpenDX.map(self.run, params=['tm', 'S2',
'te'], res_num=2, inc=2, file='devnull')
return 1
Modified: 1.2/test_suite/test_suite.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/test_suite.py?rev=2483&r1=2482&r2=2483&view=diff
==============================================================================
--- 1.2/test_suite/test_suite.py (original)
+++ 1.2/test_suite/test_suite.py Mon Apr 17 12:29:30 2006
@@ -140,7 +140,9 @@
self.mf_test_array.append(Mf(self.relax, 'select m4'))
self.mf_test_array.append(Mf(self.relax, 'create m4'))
self.mf_test_array.append(Mf(self.relax, 'read results'))
- self.mf_test_array.append(Mf(self.relax, 'opendx {s2, te, Rex} map'))
+ self.mf_test_array.append(Mf(self.relax, 'opendx {S2, te, Rex} map'))
+ self.mf_test_array.append(Mf(self.relax, 'opendx {theta, phi, Da}
map'))
+ self.mf_test_array.append(Mf(self.relax, 'opendx {tm, S2, te} map'))
# Execute the tests.
self.exec_tests(self.mf_test_array)
r2483 - in /1.2/test_suite: model_free.py test_suite.py