Author: bugman
Date: Wed Feb 27 20:10:47 2013
New Revision: 18575
URL: http://svn.gna.org/viewcvs/relax?rev=18575&view=rev
Log:
Created the Structure.test_web_of_motion_all system test.
This is to check the new structure.web_of_motion user function.
Modified:
trunk/test_suite/system_tests/structure.py
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=18575&r1=18574&r2=18575&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Feb 27 20:10:47 2013
@@ -30,6 +30,7 @@
from generic_fns.mol_res_spin import count_spins, return_spin
from maths_fns.rotation_matrix import euler_to_R_zyz
from relax_errors import RelaxError
+from relax_io import DummyFileObject
from status import Status; status = Status()
from test_suite.system_tests.base_classes import SystemTestCase
@@ -1053,3 +1054,75 @@
self.assertAlmostEqual(model2.x[i], model3.x[i], 2)
self.assertAlmostEqual(model2.y[i], model3.y[i], 2)
self.assertAlmostEqual(model2.z[i], model3.z[i], 2)
+
+
+ def test_web_of_motion_all(self):
+ """Check the operation of the structure.web_of_motion user function
using all structural models."""
+
+ # Load the file.
+ path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'structures'
+ self.interpreter.structure.read_pdb('web_of_motion.pdb', dir=path)
+
+ # Run the structure.web_of_motion user function and collect the
results in a dummy file object.
+ file = DummyFileObject()
+ self.interpreter.structure.web_of_motion(file=file)
+
+ # The result.
+ result = [
+ "ATOM 1 N LEU 4 9.464 -9.232 27.573 1.00
0.00 N ",
+ "ATOM 2 N LEU 4 9.211 -9.425 26.970 1.00
0.00 N ",
+ "ATOM 3 N LEU 4 7.761 -6.392 27.161 1.00
0.00 N ",
+ "ATOM 4 H LEU 4 8.575 -8.953 27.963 1.00
0.00 H ",
+ "ATOM 5 H LEU 4 9.085 -9.743 27.919 1.00
0.00 H ",
+ "ATOM 6 H LEU 4 7.278 -6.195 28.026 1.00
0.00 H ",
+ "ATOM 7 CA LEU 4 10.302 -8.195 26.930 1.00
0.00 C ",
+ "ATOM 8 CA LEU 4 10.077 -8.221 26.720 1.00
0.00 C ",
+ "ATOM 9 CA LEU 4 9.256 -6.332 27.183 1.00
0.00 C ",
+ "ATOM 10 CB LEU 4 9.494 -7.221 26.051 1.00
0.00 C ",
+ "ATOM 11 CB LEU 4 9.297 -7.096 26.024 1.00
0.00 C ",
+ "ATOM 12 CB LEU 4 9.799 -5.331 26.144 1.00
0.00 C ",
+ "ATOM 13 CG LEU 4 10.107 -5.862 25.665 1.00
0.00 C ",
+ "ATOM 14 CG LEU 4 10.061 -5.803 25.679 1.00
0.00 C ",
+ "ATOM 15 CG LEU 4 10.293 -5.882 24.803 1.00
0.00 C ",
+ "ATOM 16 CD1 LEU 4 11.182 -6.007 24.608 1.00
0.00 C ",
+ "ATOM 17 CD1 LEU 4 11.029 -6.002 24.507 1.00
0.00 C ",
+ "ATOM 18 CD1 LEU 4 9.404 -6.984 24.274 1.00
0.00 C ",
+ "ATOM 19 CD2 LEU 4 9.036 -4.875 25.171 1.00
0.00 C ",
+ "ATOM 20 CD2 LEU 4 9.120 -4.618 25.384 1.00
0.00 C ",
+ "ATOM 21 CD2 LEU 4 10.355 -4.772 23.792 1.00
0.00 C ",
+ "ATOM 22 C LEU 4 10.999 -7.436 28.046 1.00
0.00 C ",
+ "ATOM 23 C LEU 4 10.625 -7.721 28.047 1.00
0.00 C ",
+ "ATOM 24 C LEU 4 9.816 -6.033 28.572 1.00
0.00 C ",
+ "TER 25 LEU 4
",
+ "CONECT 1 2 3
",
+ "CONECT 2 1 3
",
+ "CONECT 3 1 2
",
+ "CONECT 4 5 6
",
+ "CONECT 5 4 6
",
+ "CONECT 6 4 5
",
+ "CONECT 7 8 9
",
+ "CONECT 8 7 9
",
+ "CONECT 9 7 8
",
+ "CONECT 10 11 12
",
+ "CONECT 11 10 12
",
+ "CONECT 12 10 11
",
+ "CONECT 13 14 15
",
+ "CONECT 14 13 15
",
+ "CONECT 15 13 14
",
+ "CONECT 16 17 18
",
+ "CONECT 17 16 18
",
+ "CONECT 18 16 17
",
+ "CONECT 19 20 21
",
+ "CONECT 20 19 21
",
+ "CONECT 21 19 20
",
+ "CONECT 22 23 24
",
+ "CONECT 23 22 24
",
+ "CONECT 24 22 23
",
+ "MASTER 0 0 0 0 0 0 0 0 24 1
24 0 ",
+ "END"
+ ]
+
+ # Check the created PDB file.
+ lines = file.readlines()
+ for i in range(len(lines)):
+ self.assertEqual(result[i], lines[i])
r18575 - /trunk/test_suite/system_tests/structure.py