Author: bugman
Date: Wed Feb 27 20:40:05 2013
New Revision: 18581
URL: http://svn.gna.org/viewcvs/relax?rev=18581&view=rev
Log:
Created the Structure.test_web_of_motion_13 system test.
This was just to be sure that the models argument was correctly handled by
the 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=18581&r1=18580&r2=18581&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Feb 27 20:40:05 2013
@@ -1087,6 +1087,64 @@
"ATOM 14 CD2 LEU 4 9.120 -4.618 25.384 1.00
0.00 C ",
"ATOM 15 C LEU 4 10.999 -7.436 28.046 1.00
0.00 C ",
"ATOM 16 C LEU 4 10.625 -7.721 28.047 1.00
0.00 C ",
+ "TER 17 LEU 4
",
+ "CONECT 1 2
",
+ "CONECT 2 1
",
+ "CONECT 3 4
",
+ "CONECT 4 3
",
+ "CONECT 5 6
",
+ "CONECT 6 5
",
+ "CONECT 7 8
",
+ "CONECT 8 7
",
+ "CONECT 9 10
",
+ "CONECT 10 9
",
+ "CONECT 11 12
",
+ "CONECT 12 11
",
+ "CONECT 13 14
",
+ "CONECT 14 13
",
+ "CONECT 15 16
",
+ "CONECT 16 15
",
+ "MASTER 0 0 0 0 0 0 0 0 16 1
16 0 ",
+ "END
"
+ ]
+
+ # Check the created PDB file.
+ lines = file.readlines()
+ for i in range(len(lines)):
+ self.assertEqual(result[i]+'\n', lines[i])
+
+
+ def test_web_of_motion_13(self):
+ """Check the operation of the structure.web_of_motion user function
using structural models 1 and 3 (of 3)."""
+
+ # 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, models=[1, 3])
+
+ # The result.
+ result = [
+ "REMARK 4 THIS FILE COMPLIES WITH FORMAT V. 3.30, JUL-2011.
",
+ "REMARK 40 CREATED BY RELAX (HTTP://NMR-RELAX.COM).
",
+ "ATOM 1 N LEU 4 9.464 -9.232 27.573 1.00
0.00 N ",
+ "ATOM 2 N LEU 4 7.761 -6.392 27.161 1.00
0.00 N ",
+ "ATOM 3 H LEU 4 8.575 -8.953 27.963 1.00
0.00 H ",
+ "ATOM 4 H LEU 4 7.278 -6.195 28.026 1.00
0.00 H ",
+ "ATOM 5 CA LEU 4 10.302 -8.195 26.930 1.00
0.00 C ",
+ "ATOM 6 CA LEU 4 9.256 -6.332 27.183 1.00
0.00 C ",
+ "ATOM 7 CB LEU 4 9.494 -7.221 26.051 1.00
0.00 C ",
+ "ATOM 8 CB LEU 4 9.799 -5.331 26.144 1.00
0.00 C ",
+ "ATOM 9 CG LEU 4 10.107 -5.862 25.665 1.00
0.00 C ",
+ "ATOM 10 CG LEU 4 10.293 -5.882 24.803 1.00
0.00 C ",
+ "ATOM 11 CD1 LEU 4 11.182 -6.007 24.608 1.00
0.00 C ",
+ "ATOM 12 CD1 LEU 4 9.404 -6.984 24.274 1.00
0.00 C ",
+ "ATOM 13 CD2 LEU 4 9.036 -4.875 25.171 1.00
0.00 C ",
+ "ATOM 14 CD2 LEU 4 10.355 -4.772 23.792 1.00
0.00 C ",
+ "ATOM 15 C LEU 4 10.999 -7.436 28.046 1.00
0.00 C ",
+ "ATOM 16 C LEU 4 9.816 -6.033 28.572 1.00
0.00 C ",
"TER 17 LEU 4
",
"CONECT 1 2
",
"CONECT 2 1
",
r18581 - /trunk/test_suite/system_tests/structure.py