Hi Ed,
What a coincidence !!!
This morning, I tested the installation of relax 1.3.10 on Linux Fedora
and
I had problem with two tests (namely
"test_opt_constr_bfgs_back_S2_0_970_te_2048_Rex_0_149" and
"test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
(test_suite.system_tests.model_free.Mf)"), probably because of the same
issue fixed in the current revision...
Below is the output of "relax -s". Could you check if the problem is the
same and, if needed, fix it as you did for MS Windows..?
Thanks !
Séb :)
==============
[jurgen@pake relax-1.3.10]$ ./relax -s
Echoing of user function calls has been enabled.
#############################
# System / functional tests #
#############################
...............................................................................................FF.............................................................................................................
======================================================================
FAIL: test_opt_constr_bfgs_back_S2_0_970_te_2048_Rex_0_149
(test_suite.system_tests.model_free.Mf)
Constrained BFGS opt, backtracking line search {S2=0.970, te=2048,
Rex=0.149}
----------------------------------------------------------------------
relax> pipe.create(pipe_name='mf', pipe_type='mf')
relax 1.3.10
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2011 the relax development
team
This is free software which you are welcome to modify and redistribute
under
the conditions of the
GNU General Public License (GPL). This program, including all modules,
is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within
the
relax prompt.
Assistance in using the relax prompt and scripting interface can be
accessed
by typing 'help' within
the prompt.
relax> sequence.read(file='noe.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, sep=None, spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
for reading.
relax> relax_data.read(ri_label='R1', frq_label='600',
frq=600000000.0,
file='r1.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out'
for reading.
relax> relax_data.read(ri_label='R2', frq_label='600',
frq=600000000.0,
file='r2.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out'
for reading.
relax> relax_data.read(ri_label='NOE', frq_label='600',
frq=600000000.0,
file='noe.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out'
for reading.
relax> relax_data.read(ri_label='R1', frq_label='500',
frq=500000000.0,
file='r1.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out'
for reading.
relax> relax_data.read(ri_label='R2', frq_label='500',
frq=500000000.0,
file='r2.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out'
for reading.
relax> relax_data.read(ri_label='NOE', frq_label='500',
frq=500000000.0,
file='noe.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
for reading.
relax> diffusion_tensor.init(params=1e-08, time_scale=1.0,
d_scale=1.0,
angle_units='deg', param_types=0, spheroid_type=None, fixed=True)
relax> value.set(val=1.0200000000000001e-10, param='bond_length',
spin_id=None)
relax> value.set(val=-0.00015999999999999999, param='csa',
spin_id=None)
relax> value.set(val='15N', param='heteronucleus', spin_id=None)
relax> value.set(val='1H', param='proton', spin_id=None)
relax> value.display(param='csa')
# mol_name res_num res_name spin_num spin_name value
error
None 1 GLY None None
-0.00016
None
None 2 ALA None None
-0.00016
None
relax> value.write(param='proton', file='devnull', dir=None,
force=False)
Opening the null device file for writing.
relax> model_free.select_model(model='m4', spin_id=None)
relax> value.set(val=[1.0, 0.0, 0.0], param=['S2', 'te', 'Rex'],
spin_id=None)
relax> minimise(*args=('bfgs', 'back'), func_tol=1e-25,
max_iterations=10000000, constraints=True, scaling=True, verbosity=1)
Over-fit spin deselection.
RelaxWarning: The spin ':1&:GLY' has been deselected because of
insufficient
relaxation data, 3 or more data points are required.
Only the model-free parameters for single spins will be used.
Fitting to spin ':2&:ALA'
~~~~~~~~~~~~~~~~~~~~~~~~~
Method of Multipliers
~~~~~~~~~~~~~~~~~~~~~
k: 0 xk: array([ 1., 0., 0.])
fk: 3.9844117908982288
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 1, 0, 0] fk:
3.9844117909
Parameter values: [0.90905501681906287, 74.369295545631317,
1.2231009087192337]
Function value: -1447.7789206950388
Iterations: 37
Function calls: 93
Gradient calls: 38
Hessian calls: 0
Warning: None
k: 1 xk: array([ 0.90905502, 74.36929555, 1.22310091])
fk: 48.121412825285702
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.90906, 74.369, 1.2231] fk:
46.0715795854
Parameter values: [0.98956103824007713, 408.92212422897256,
0.12789912795489747]
Function value: 1.5767184829472947
Iterations: 37
Function calls: 209
Gradient calls: 38
Hessian calls: 0
Warning: None
k: 2 xk: array([ 9.89561038e-01, 4.08922124e+02,
1.27899128e-01])
fk: 3.6265517227850839
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.98956, 408.92, 0.1279] fk:
3.62655172279
Parameter values: [0.98280664757781688, 601.68994600419194,
0.055870730706586783]
Function value: 2.7803077415960757
Iterations: 30
Function calls: 149
Gradient calls: 31
Hessian calls: 0
Warning: None
k: 3 xk: array([ 9.82806648e-01, 6.01689946e+02,
5.58707307e-02])
fk: 2.7803077415960757
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.98281, 601.69, 0.055871] fk:
2.7803077416
Parameter values: [0.97000000000262465, 2047.9999999849369,
0.14899999993840687]
Function value: 4.3399069883879782e-20
Iterations: 70
Function calls: 212
Gradient calls: 71
Hessian calls: 0
Warning: None
k: 4 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 4.3399069883879782e-20
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
4.33990698839e-20
Parameter values: [0.96999999999990616, 2047.9999999849369,
0.14900000000189087]
Function value: 8.4298981584870517e-23
Iterations: 11
Function calls: 36
Gradient calls: 12
Hessian calls: 0
Warning: None
k: 5 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 8.4298981584870517e-23
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
8.42989815849e-23
Parameter values: [0.96999999999991904, 2047.9999999849369,
0.14900000000155103]
Function value: 8.2908269286295164e-23
Iterations: 6
Function calls: 41
Gradient calls: 7
Hessian calls: 0
Warning: None
k: 6 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 8.2908269286295164e-23
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: Backtracking line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
8.29082692863e-23
Parameter values: [0.96999999999991871, 2047.9999999849369,
0.149000000001551]
Function value: 8.290677155630973e-23
Iterations: 3
Function calls: 40
Gradient calls: 4
Hessian calls: 0
Warning: None
Parameter values: [0.96999999999991871, 2047.9999999849369,
0.149000000001551]
Function value: 8.290677155630973e-23
Iterations: 194
Function calls: 780
Gradient calls: 201
Hessian calls: 0
Warning: None
Traceback (most recent call last):
File "/s/relax-1.3.10/test_suite/system_tests/model_free.py", line
826, in
test_opt_constr_bfgs_back_S2_0_970_te_2048_Rex_0_149
self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2,
iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
File "/s/relax-1.3.10/test_suite/system_tests/model_free.py", line
2544, in
value_test
self.assert_(spin.iter in iter, msg=mesg)
AssertionError: Optimisation failure.
System: Linux
Release: 2.6.35.13-92.fc14.i686.PAE
Version: #1 SMP Sat May 21 17:33:09 UTC 2011
Win32 version:
Distribution: fedora 14 Laughlin
Architecture: 32bit ELF
Machine: i686
Processor: i686
Python version: 2.7.0
Numpy version: 1.4.1
Libc version: glibc 2.0
s2: 0.9699999999999187
te (ps): 2047.999999985
rex: 0.149000000001551
chi2: 8.290677155630973e-23
iter: 194
f_count: 780
g_count: 201
h_count: 0
warning: None
======================================================================
FAIL: test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
(test_suite.system_tests.model_free.Mf)
Constrained BFGS opt, More and Thuente line search {S2=0.970, te=2048,
Rex=0.149}
----------------------------------------------------------------------
relax> pipe.create(pipe_name='mf', pipe_type='mf')
relax 1.3.10
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2011 the relax development
team
This is free software which you are welcome to modify and redistribute
under
the conditions of the
GNU General Public License (GPL). This program, including all modules,
is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within
the
relax prompt.
Assistance in using the relax prompt and scripting interface can be
accessed
by typing 'help' within
the prompt.
relax> sequence.read(file='noe.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, sep=None, spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
for reading.
relax> relax_data.read(ri_label='R1', frq_label='600',
frq=600000000.0,
file='r1.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out'
for reading.
relax> relax_data.read(ri_label='R2', frq_label='600',
frq=600000000.0,
file='r2.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out'
for reading.
relax> relax_data.read(ri_label='NOE', frq_label='600',
frq=600000000.0,
file='noe.600.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out'
for reading.
relax> relax_data.read(ri_label='R1', frq_label='500',
frq=500000000.0,
file='r1.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out'
for reading.
relax> relax_data.read(ri_label='R2', frq_label='500',
frq=500000000.0,
file='r2.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out'
for reading.
relax> relax_data.read(ri_label='NOE', frq_label='500',
frq=500000000.0,
file='noe.500.out',
dir='/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2,
spin_num_col=None, spin_name_col=None, data_col=3, error_col=4,
sep=None,
spin_id=None)
Opening the file
'/s/relax-1.3.10/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
for reading.
relax> diffusion_tensor.init(params=1e-08, time_scale=1.0,
d_scale=1.0,
angle_units='deg', param_types=0, spheroid_type=None, fixed=True)
relax> value.set(val=1.0200000000000001e-10, param='bond_length',
spin_id=None)
relax> value.set(val=-0.00015999999999999999, param='csa',
spin_id=None)
relax> value.set(val='15N', param='heteronucleus', spin_id=None)
relax> value.set(val='1H', param='proton', spin_id=None)
relax> value.display(param='csa')
# mol_name res_num res_name spin_num spin_name value
error
None 1 GLY None None
-0.00016
None
None 2 ALA None None
-0.00016
None
relax> value.write(param='proton', file='devnull', dir=None,
force=False)
Opening the null device file for writing.
relax> model_free.select_model(model='m4', spin_id=None)
relax> value.set(val=[1.0, 0.0, 0.0], param=['S2', 'te', 'Rex'],
spin_id=None)
relax> minimise(*args=('bfgs', 'mt'), func_tol=1e-25,
max_iterations=10000000, constraints=True, scaling=True, verbosity=1)
Over-fit spin deselection.
RelaxWarning: The spin ':1&:GLY' has been deselected because of
insufficient
relaxation data, 3 or more data points are required.
Only the model-free parameters for single spins will be used.
Fitting to spin ':2&:ALA'
~~~~~~~~~~~~~~~~~~~~~~~~~
Method of Multipliers
~~~~~~~~~~~~~~~~~~~~~
k: 0 xk: array([ 1., 0., 0.])
fk: 3.9844117908982288
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 1, 0, 0] fk:
3.9844117909
Parameter values: [0.90905506221776622, 74.369430109433466,
1.2231015622357264]
Function value: -1447.7789206948671
Iterations: 22
Function calls: 50
Gradient calls: 50
Hessian calls: 0
Warning: None
k: 1 xk: array([ 0.90905506, 74.36943011, 1.22310156])
fk: 48.121371716752286
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 0.90906, 74.369, 1.2231] fk:
46.0715179226
Parameter values: [0.99493663077922057, 88.138505759196732,
-3.7928107668617891e-05]
Function value: 1.9644199917083982
Iterations: 38
Function calls: 128
Gradient calls: 128
Hessian calls: 0
Warning: The gradient at point 0 of this line search is
positive, ie p is not a descent direction and the line search will not
work.
(fatal minimisation error).
k: 2 xk: array([ 9.94936631e-01, 8.81385058e+01,
-3.79281077e-05])
fk: 144.63963445541734
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 0.99494, 88.139, -3.7928e-05] fk:
4.0147053483
Parameter values: [0.9700000000020782, 2048.0000000119967,
0.14899999998332922]
Function value: -7.1927067566113556e-05
Iterations: 56
Function calls: 129
Gradient calls: 129
Hessian calls: 0
Warning: None
k: 3 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 1.5560391211796852e-20
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
1.55603912118e-20
Parameter values: [0.97000000000063413, 2048.0000000119967,
0.14899999998330257]
Function value: 2.6082858480886141e-21
Iterations: 1
Function calls: 4
Gradient calls: 4
Hessian calls: 0
Warning: None
k: 4 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 2.6082858480886141e-21
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
2.60828584809e-21
Parameter values: [0.97000000000006326, 2048.0000000119967,
0.14899999999880381]
Function value: 5.1869486534269492e-23
Iterations: 2
Function calls: 7
Gradient calls: 7
Hessian calls: 0
Warning: None
k: 5 xk: array([ 9.70000000e-01, 2.04800000e+03,
1.49000000e-01])
fk: 5.1869486534269492e-23
Entering sub-algorithm.
Quasi-Newton BFGS minimisation
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Line search: More and Thuente line search.
k: 0 xk: [ 0.97, 2048, 0.149] fk:
5.18694865343e-23
Parameter values: [0.97000000000006315, 2048.0000000119967,
0.14899999999880381]
Function value: 5.1821311776197656e-23
Iterations: 3
Function calls: 68
Gradient calls: 68
Hessian calls: 0
Warning: None
Parameter values: [0.97000000000006315, 2048.0000000119967,
0.14899999999880381]
Function value: 5.1821311776197656e-23
Iterations: 122
Function calls: 386
Gradient calls: 386
Hessian calls: 0
Warning: None
Traceback (most recent call last):
File "/s/relax-1.3.10/test_suite/system_tests/model_free.py", line
1011, in
test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2,
iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
File "/s/relax-1.3.10/test_suite/system_tests/model_free.py", line
2544, in
value_test
self.assert_(spin.iter in iter, msg=mesg)
AssertionError: Optimisation failure.
System: Linux
Release: 2.6.35.13-92.fc14.i686.PAE
Version: #1 SMP Sat May 21 17:33:09 UTC 2011
Win32 version:
Distribution: fedora 14 Laughlin
Architecture: 32bit ELF
Machine: i686
Processor: i686
Python version: 2.7.0
Numpy version: 1.4.1
Libc version: glibc 2.0
s2: 0.9700000000000631
te (ps): 2048.000000012
rex: 0.14899999999880381
chi2: 5.1821311776197656e-23
iter: 122
f_count: 386
g_count: 386
h_count: 0
warning: None
----------------------------------------------------------------------
Ran 206 tests in 436.606s
FAILED (failures=2)
###################################
# Summary of the relax test suite #
###################################
# Optional packages/modules
###########################
No tests skipped due to missing modules.
# Synopsis
##########
System/functional tests ......................................... [
Failed ]
==============
On 11-08-11 4:56 PM, edward@xxxxxxxxxxxxx wrote:
Author: bugman
Date: Thu Aug 11 16:56:16 2011
New Revision: 14364
URL: http://svn.gna.org/viewcvs/relax?rev=14364&view=rev
Log:
Fix for the test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
model-free
system test on MS Windows.
The te parameter check was too strict.
Modified:
1.3/test_suite/system_tests/model_free.py
Modified: 1.3/test_suite/system_tests/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?rev=14364&r1=14363&r2=14364&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Thu Aug 11 16:56:16 2011
@@ -2523,7 +2523,7 @@
# te correlation time.
if type(te) == float:
- self.assertAlmostEqual(spin.te / 1e-12, te, 6, msg=mesg)
+ self.assertAlmostEqual(spin.te / 1e-12, te, 5, msg=mesg)
elif te == None:
self.assertEqual(spin.te, None, msg=mesg)
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--
Sébastien Morin, Ph.D.
Postdoctoral Fellow, S. Grzesiek NMR Laboratory
Department of Structural Biology
Biozentrum, Universität Basel
Klingelbergstrasse 70
4056 Basel
Switzerland
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Re: r14364 - /1.3/test_suite/system_tests/model_free.py