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.
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