mailRe: r14364 - /1.3/test_suite/system_tests/model_free.py


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Posted by Sébastien Morin on August 11, 2011 - 17:43:
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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