Author: bugman Date: Fri Nov 21 10:23:38 2014 New Revision: 26680 URL: http://svn.gna.org/viewcvs/relax?rev=26680&view=rev Log: Simplification of the Frame_order.test_pdb_model_rotor system test.
The size is now programatically handled. Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=26680&r1=26679&r2=26680&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py (original) +++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Fri Nov 21 10:23:38 2014 @@ -1613,6 +1613,11 @@ def test_pdb_model_rotor(self): """Check the PDB file created by the frame_order.pdb_model user function for the rotor model.""" + # Lengths. + l = 30.0 + l2 = l - 2.0 + l3 = l + 2.0 + # Create a data pipe. self.interpreter.pipe.create(pipe_name='PDB model', pipe_type='frame order') @@ -1637,7 +1642,7 @@ self.interpreter.frame_order.pivot(pivot=[1, 0, 0], fix=True) # Create the PDB. - self.interpreter.frame_order.pdb_model(dir=ds.tmpdir, inc=1) + self.interpreter.frame_order.pdb_model(dir=ds.tmpdir, inc=1, size=l) # Create a data pipe for the new structure. self.interpreter.pipe.create(pipe_name='PDB check', pipe_type='frame order') @@ -1648,20 +1653,20 @@ # The data, as it should be with everything along the z-axis, shifted from the origin to the pivot. data = [ - [ 1, 'PIV', 1, 'Piv', [1.0, 0.0, 0.0]], - [ 1, 'RTX', 2, 'CTR', [1.0, 0.0, 0.0]], - [ 2, 'RTX', 3, 'PRP', [1.0, 0.0, 30.0]], - [ 3, 'RTX', 4, 'PRP', [1.0, 0.0, -30.0]], - [ 4, 'RTB', 5, 'BLO', [1.0, 0.0, 30.0]], - [ 5, 'RTB', 187, 'BLO', [1.0, 0.0, 28.0]], - [ 6, 'RTB', 369, 'BLO', [1.0, 0.0, 30.0]], - [ 7, 'RTB', 551, 'BLO', [1.0, 0.0, 28.0]], - [ 8, 'RTB', 733, 'BLO', [1.0, 0.0, -30.0]], - [ 9, 'RTB', 915, 'BLO', [1.0, 0.0, -28.0]], - [10, 'RTB', 1097, 'BLO', [1.0, 0.0, -30.0]], - [11, 'RTB', 1279, 'BLO', [1.0, 0.0, -28.0]], - [12, 'RTL', 1461, 'z-ax', [1.0, 0.0, 32.0]], - [12, 'RTL', 1462, 'z-ax', [1.0, 0.0, -32.0]] + [ 1, 'PIV', 1, 'Piv', [1.0, 0.0, 0.0]], + [ 1, 'RTX', 2, 'CTR', [1.0, 0.0, 0.0]], + [ 2, 'RTX', 3, 'PRP', [1.0, 0.0, l]], + [ 3, 'RTX', 4, 'PRP', [1.0, 0.0, -l]], + [ 4, 'RTB', 5, 'BLO', [1.0, 0.0, l]], + [ 5, 'RTB', 187, 'BLO', [1.0, 0.0, l2]], + [ 6, 'RTB', 369, 'BLO', [1.0, 0.0, l]], + [ 7, 'RTB', 551, 'BLO', [1.0, 0.0, l2]], + [ 8, 'RTB', 733, 'BLO', [1.0, 0.0, -l]], + [ 9, 'RTB', 915, 'BLO', [1.0, 0.0, -l2]], + [10, 'RTB', 1097, 'BLO', [1.0, 0.0, -l]], + [11, 'RTB', 1279, 'BLO', [1.0, 0.0, -l2]], + [12, 'RTL', 1461, 'z-ax', [1.0, 0.0, l3]], + [12, 'RTL', 1462, 'z-ax', [1.0, 0.0, -l3]] ] # Check the atomic coordinates. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits