Author: bugman
Date: Thu Sep 3 18:32:10 2009
New Revision: 9460
URL: http://svn.gna.org/viewcvs/relax?rev=9460&view=rev
Log:
Renamed a frame order system test.
Added:
1.3/test_suite/system_tests/scripts/frame_order/opt_rigid_no_rot.py
- copied unchanged from r9458,
1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py
Removed:
1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py
Modified:
1.3/test_suite/system_tests/frame_order.py
Modified: 1.3/test_suite/system_tests/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/frame_order.py?rev=9460&r1=9459&r2=9460&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/frame_order.py (original)
+++ 1.3/test_suite/system_tests/frame_order.py Thu Sep 3 18:32:10 2009
@@ -109,11 +109,11 @@
return string
- def test_rigid_no_rot(self):
+ def test_opt_rigid_no_rot(self):
"""Test the 'rigid' model for unrotated tensors with no motion."""
# Execute the script.
- self.relax.interpreter.run(script_file=sys.path[-1] +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_no_rot.py')
+ self.relax.interpreter.run(script_file=sys.path[-1] +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'opt_rigid_no_rot.py')
# Test the values.
self.assertEqual(cdp.iter, 92)
Removed: 1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py?rev=9459&view=auto
==============================================================================
--- 1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py (original)
+++ 1.3/test_suite/system_tests/scripts/frame_order/rigid_no_rot.py (removed)
@@ -1,88 +1,0 @@
-# relax module imports.
-from generic_fns.pipes import get_pipe
-from physical_constants import dipolar_constant, g1H, g15N,
NH_BOND_LENGTH_RDC
-
-# Grid increments.
-GRID_INCS = 3
-
-# The dipolar constant.
-d = dipolar_constant(g1H, g15N, NH_BOND_LENGTH_RDC)
-
-# 1 Hz error.
-error = 1.0 / d
-print(error)
-
-# Create the data pipe.
-pipe.create(pipe_name='rigid - no rotation', pipe_type='frame order')
-
-# Load the 'a' domain tensors.
-align_tensor.init(tensor='a 0', params=(0.00014221982216882766,
-0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324,
0.00020200800707295086), param_types=0)
-align_tensor.init(tensor='a 1', params=(-0.00014307694949297205,
-0.00039671919293883545, -0.00024724524395487659, 0.00031948292975139144,
0.00018868359624777639), param_types=0)
-align_tensor.init(tensor='a 2', params=(-0.00022967898444150887,
-0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477705,
0.00029030226175831515), param_types=0)
-align_tensor.init(tensor='a 3', params=(0.00043690692358615301,
-0.00034379559287467062, -0.0001935969517168339, 0.00030194133983804048,
-6.3141622501644874e-05), param_types=0)
-align_tensor.init(tensor='a 4', params=(-0.00026249527958822807,
0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05,
0.00020119758245770023), param_types=0)
-align_tensor.init(tensor='a 5', params=(0.00048180707211229368,
-0.00033930112217225942, 0.00011094068795736054, 0.00070350646902989675,
0.00037537667271407202), param_types=0)
-align_tensor.init(tensor='a 6', params=(0.00035672066304092451,
-0.00026838578790208884, -0.00016936140664230585, 0.0001718737155150645,
-0.00030579015509609098), param_types=0)
-align_tensor.init(tensor='a 7', params=(0.00017061308478202151,
-0.00076455273118810512, -0.00052048809712606505, 0.00049258369866413403,
-0.00013905141064073534), param_types=0)
-align_tensor.init(tensor='a 8', params=(-0.00022193220790426714,
-0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065,
0.0002562167583736733), param_types=0)
-align_tensor.init(tensor='a 9', params=(0.00037091020965736581,
-0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107,
9.0103851318397532e-05), param_types=0)
-
-# Set the errors and domain.
-for i in range(10):
- # Errors.
- align_tensor.init(tensor='a '+repr(i), params=(error, error, error,
error, error), param_types=0, errors=True)
-
- # Domain.
- align_tensor.set_domain(tensor='a '+repr(i), domain='a')
-
-# Load the 'b' domain tensors.
-align_tensor.init(tensor='b 0', params=(0.00014221982216882766,
-0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324,
0.00020200800707295086), param_types=0)
-align_tensor.init(tensor='b 1', params=(-0.00014307694949297205,
-0.00039671919293883545, -0.00024724524395487659, 0.00031948292975139144,
0.00018868359624777639), param_types=0)
-align_tensor.init(tensor='b 2', params=(-0.00022967898444150887,
-0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477705,
0.00029030226175831515), param_types=0)
-align_tensor.init(tensor='b 3', params=(0.00043690692358615301,
-0.00034379559287467062, -0.0001935969517168339, 0.00030194133983804048,
-6.3141622501644874e-05), param_types=0)
-align_tensor.init(tensor='b 4', params=(-0.00026249527958822807,
0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05,
0.00020119758245770023), param_types=0)
-align_tensor.init(tensor='b 5', params=(0.00048180707211229368,
-0.00033930112217225942, 0.00011094068795736054, 0.00070350646902989675,
0.00037537667271407202), param_types=0)
-align_tensor.init(tensor='b 6', params=(0.00035672066304092451,
-0.00026838578790208884, -0.00016936140664230585, 0.0001718737155150645,
-0.00030579015509609098), param_types=0)
-align_tensor.init(tensor='b 7', params=(0.00017061308478202151,
-0.00076455273118810512, -0.00052048809712606505, 0.00049258369866413403,
-0.00013905141064073534), param_types=0)
-align_tensor.init(tensor='b 8', params=(-0.00022193220790426714,
-0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065,
0.0002562167583736733), param_types=0)
-align_tensor.init(tensor='b 9', params=(0.00037091020965736581,
-0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107,
9.0103851318397532e-05), param_types=0)
-
-# Set the errors and domain.
-for i in range(10):
- # Errors.
- align_tensor.init(tensor='b '+repr(i), params=(error, error, error,
error, error), param_types=0, errors=True)
-
- # Domain.
- align_tensor.set_domain(tensor='b '+repr(i), domain='b')
-
-# The tensor reductions.
-for i in range(10):
- align_tensor.reduction(full_tensor='a '+repr(i), red_tensor='b '+repr(i))
-
-# Select the model.
-frame_order.select_model('rigid')
-
-# Set the reference domain.
-frame_order.ref_domain('a')
-
-# Optimise.
-grid_search(inc=GRID_INCS, constraints=False)
-minimise('simplex', constraints=False)
-
-# Monte Carlo simulations.
-monte_carlo.setup(3)
-monte_carlo.create_data()
-monte_carlo.initial_values()
-minimise('simplex', constraints=False)
-monte_carlo.error_analysis()
-
-# Print out.
-print("\n# Min details #")
-print(("grid increments: %s" % GRID_INCS))
-print("\n# Euler angles (deg) #")
-print(("alpha: %20.8f+/-%-20.8f" % (cdp.alpha /2/pi*360, cdp.alpha_err
/2/pi*360)))
-print(("beta: %20.8f+/-%-20.8f" % (cdp.beta /2/pi*360, cdp.beta_err
/2/pi*360)))
-print(("gamma: %20.8f+/-%-20.8f" % (cdp.gamma /2/pi*360, cdp.gamma_err
/2/pi*360)))
-
-# Write the results.
-results.write('devnull', dir=None, force=True)
r9460 - in /1.3/test_suite/system_tests: ./ scripts/frame_order/