Author: semor
Date: Mon Jan 7 19:41:25 2008
New Revision: 4465
URL: http://svn.gna.org/viewcvs/relax?rev=4465&view=rev
Log:
Updated the consistency_tests code in the test suite mainly by mimicking the
jw_mapping code.
Jw mapping and consistency testing are performed in the same way so their
code should be similar.
Modified:
branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py
Modified:
branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py?rev=4465&r1=4464&r2=4465&view=diff
==============================================================================
---
branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py
(original)
+++
branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py
Mon Jan 7 19:41:25 2008
@@ -23,108 +23,50 @@
# Python module imports.
import sys
+from unittest import TestCase
# relax module imports.
from data import Data as relax_data_store
from generic_fns.selection import residue_loop
from physical_constants import N15_CSA, NH_BOND_LENGTH
-# The relax data storage object.
+
+class Ct(TestCase):
+ """Class for testing various aspects specific to consistency testing."""
+
+ def setUp(self):
+ """Set up for all the functional tests."""
+
+ # Create the data pipe.
+ self.relax.interpreter._Pipe.create('ct', 'ct')
+ def tearDown(self):
+ """Reset the relax data storage object."""
+
+ relax_data_store.__reset__()
-class Ct:
- def __init__(self, relax, test_name):
- """Class for testing various aspects specific to consistency
testing."""
+ def test_calc(self):
+ """The consistency testing calculation test."""
- self.relax = relax
+ # Data directory.
+ dir = sys.path[-1] + '/test_suite/system_tests/data/jw_mapping/'
- # Results reading test.
- if test_name == 'set':
+ # Data paths.
+ dataPaths = [dir + 'noe.dat',
+ dir + 'R1.dat',
+ dir + 'R2.dat']
- # The name of the test.
- self.name = "The user function value.set()"
-
- # The test.
- self.test = self.set_value
-
- # Consistency tests calculation test.
- if test_name == 'calc':
-
- # The name of the test.
- self.name = "Consistency tests calculation"
-
- # The test.
- self.test = self.calc
-
-
- def calc(self, pipe):
- """The consistency tests calculation test."""
-
- # Arguments.
- self.pipe = pipe
-
- # Setup.
- self.calc_setup()
-
- # Try the consistency testing.
- self.relax.interpreter._Minimisation.calc()
-
- # Success.
- return self.calc_integrity()
-
-
- def calc_integrity(self):
+ # Data types.
+ dataTypes = [('NOE', '600', 600.0e6),
+ ('R1', '600', 600.0e6),
+ ('R2', '600', 600.0e6)]
# Correct consistency functions values:
j0 = [4.0703318681008998e-09, 3.7739393907014834e-09]
f_eta = [0.35164988964635652, 0.32556427866911447]
f_r2 = [2.0611470814962761e-09, 1.9117396355237641e-09]
-
- # Loop over residues.
- for res in residue_loop:
- # Residues -2 and -1 have data.
- if res.num == -2 or res.num == -1:
- if not res.spin[0].select:
- print 'Residue', res.num, 'unexpectedly not selected'
- return
-
- if abs(res.spin[0].j0 - j0[index]) > j0[index]/1e6:
- print 'Error in residue', res.num, 'j0 calculated value'
- return
- if abs(res.spin[0].f_eta - f_eta[index]) > f_eta[index]/1e6:
- print 'Error in residue', res.num, 'f_eta calculated
value'
- return
- if abs(res.spin[0].f_r2 - f_r2[index]) > f_r2[index]/1e6:
- print 'Error in residue', res.num, 'f_r2 calculated
value'
- return
-
- # Other residues have insufficient data.
- else:
- if res.spin[0].select:
- print 'Residue', res.num, 'unexpectedly selected'
- return
-
- # Success.
- return 1
-
-
- def calc_setup(self):
- """Setup for the calculation test."""
-
- dir = sys.path[-1] + '/test_suite/system_tests/data/jw_mapping/'
-
- dataPaths = [dir + 'noe.dat',
- dir + 'R1.dat',
- dir + 'R2.dat']
-
- dataTypes = [('NOE', '600', 600.0e6),
- ('R1', '600', 600.0e6),
- ('R2', '600', 600.0e6)]
-
- # Create the data pipe.
- self.relax.interpreter._Pipe.create(self.pipe, 'ct')
# Read the sequence.
self.relax.interpreter._Sequence.read(file='test_seq',
dir=sys.path[-1] + '/test_suite/system_tests/data')
@@ -133,22 +75,33 @@
for dataSet in xrange(len(dataPaths)):
self.relax.interpreter._Relax_data.read(dataTypes[dataSet][0],
dataTypes[dataSet][1], dataTypes[dataSet][2], dataPaths[dataSet])
- # Nuclei type.
- self.relax.interpreter._Nuclei.nuclei('N')
-
- # Set r and csa.
+ # Set r, csa, and the nucleus type.
self.relax.interpreter._Value.set(NH_BOND_LENGTH, 'bond_length')
self.relax.interpreter._Value.set(N15_CSA, 'csa')
+ self.relax.interpreter._Value.set('N', 'nucleus')
# Select the frequency.
self.relax.interpreter._Consistency_tests.set_frq(frq=600.0 * 1e6)
+ # Try the consistency testing.
+ self.relax.interpreter._Minimisation.calc()
- def set_value(self, pipe):
- """The value.set test."""
+ # Loop over residues.
+ for res in residue_loop():
+ # Residues -2 and -1 have data.
+ if res.num == -2 or res.num == -1:
+ self.assert_(res.spin[0].select)
+ self.assertAlmostEqual(res.spin[0].j0, j0[index])
+ self.assertAlmostEqual(res.spin[0].f_eta, f_eta[index])
+ self.assertAlmostEqual(res.spin[0].f_r2, f_r2[index])
- # Create the data pipe.
- self.relax.interpreter._Pipe.create(pipe, 'ct')
+ # Other residues have insufficient data.
+ else:
+ self.assert_(not res.spin[0].select)
+
+
+ def test_set_value(self):
+ """The user function value.set()."""
# Read the sequence.
self.relax.interpreter._Sequence.read(file='test_seq',
dir=sys.path[-1] + '/test_suite/system_tests/data')
@@ -159,15 +112,7 @@
self.relax.interpreter._Value.set(bond_length, 'bond_length')
self.relax.interpreter._Value.set(csa, 'csa')
- # Test values.
- for i in xrange(len(relax_data_store[pipe].mol[0].res)):
- if relax_data_store[pipe].mol[0].res[i].spin[0].r != bond_length:
- print 'Value of bond_length has not been set correctly'
- return
- if relax_data_store[pipe].mol[0].res[i].spin[0].csa != csa:
- print 'Value of csa has not been set correctly'
- return
-
- # Success.
- return 1
-
+ # Loop over residues.
+ for res in residue_loop():
+ self.assertEqual(res.spin[0].r, NH_BOND_LENGTH)
+ self.assertEqual(res.spin[0].csa, N15_CSA)
r4465 - /branches/consistency_tests_1.3/test_suite/system_tests/consistency_tests.py