URL:
<http://gna.org/bugs/?22065>
Summary: Systemtest
Relax_disp.test_hansen_cpmg_data_missing_auto_analysis has tcp array with
multiple nan
Project: relax
Submitted by: tlinnet
Submitted on: Wed 21 May 2014 10:40:12 AM UTC
Category: relax's source code
Specific analysis category: Relaxation dispersion
Priority: 5 - Normal
Severity: 3 - Normal
Status: None
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: Branches
Discussion Lock: Any
Operating System: All systems
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Details:
Printing out in lib/dispersion/ns_cpmg_2site_expanded.py of
print max_t115, tcp
shows
30 [ 0.00375 0.001875 0.00125 0.0009375
0.00075 0.000625 0.000535714285714 0.00046875
0.000416666666667 0.000375 0.000340909090909 0.0003125
0.000288461538462 0.000267857142857 0.00025 ]
0 [ nan nan nan nan nan nan nan nan nan nan nan nan nan nan
nan]
This is un-expected.
Traceback (most recent call last):
File
"/Users/tlinnet/software/disp_speed/test_suite/system_tests/relax_disp.py",
line 1983, in test_hansen_cpmg_data_missing_auto_analysis
self.interpreter.run(script_file=status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'hansen_data_missing.py')
File "/Users/tlinnet/software/disp_speed/prompt/interpreter.py", line 275,
in run
return run_script(intro=self.__intro_string, local=locals(),
script_file=script_file, show_script=self.__show_script,
raise_relax_error=self.__raise_relax_error)
File "/Users/tlinnet/software/disp_speed/prompt/interpreter.py", line 569,
in run_script
return console.interact(intro, local, script_file,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/Users/tlinnet/software/disp_speed/prompt/interpreter.py", line 468,
in interact_script
exec_script(script_file, local)
File "/Users/tlinnet/software/disp_speed/prompt/interpreter.py", line 347,
in exec_script
runpy.run_module(module, globals)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
line 180, in run_module
fname, loader, pkg_name)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
line 72, in _run_code
exec code in run_globals
File
"/Users/tlinnet/software/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py",
line 58, in <module>
Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle,
results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM,
numeric_only=ds.numeric_only)
File "/Users/tlinnet/software/disp_speed/auto_analyses/relax_disp.py", line
124, in __init__
self.run()
File "/Users/tlinnet/software/disp_speed/auto_analyses/relax_disp.py", line
491, in run
self.optimise(model=model)
File "/Users/tlinnet/software/disp_speed/auto_analyses/relax_disp.py", line
387, in optimise
self.interpreter.minimise('simplex', func_tol=self.opt_func_tol,
max_iter=self.opt_max_iterations, constraints=True)
File "/Users/tlinnet/software/disp_speed/prompt/uf_objects.py", line 223, in
__call__
self._backend(*new_args, **uf_kargs)
File "/Users/tlinnet/software/disp_speed/pipe_control/minimise.py", line
238, in minimise
processor.run_queue()
File "/Users/tlinnet/software/disp_speed/multi/uni_processor.py", line 186,
in run_queue
command.run(self, completed)
File
"/Users/tlinnet/software/disp_speed/specific_analyses/relax_disp/optimisation.py",
line 755, in run
results = generic_minimise(func=model.func, args=(), x0=self.param_vector,
min_algor=self.min_algor, min_options=self.min_options,
func_tol=self.func_tol, grad_tol=self.grad_tol, maxiter=self.max_iterations,
A=self.A, b=self.b, full_output=True, print_flag=self.verbosity)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/site-packages/minfx/generic.py",
line 399, in generic_minimise
results = log_barrier_function(func=func, dfunc=dfunc, d2func=d2func,
args=args, x0=x0, min_options=min_options, A=A, b=b, func_tol=func_tol,
grad_tol=grad_tol, maxiter=maxiter, full_output=full_output,
print_flag=print_flag)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/site-packages/minfx/log_barrier_function.py",
line 93, in log_barrier_function
min = Log_barrier_function(func, dfunc, d2func, args, x0, min_options, A,
b, epsilon0, scale_epsilon, func_tol, grad_tol, maxiter, inner_maxiter,
full_output, print_flag)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/site-packages/minfx/log_barrier_function.py",
line 173, in __init__
self.f_log = self.func_log(*(self.xk,)+self.args)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/site-packages/minfx/log_barrier_function.py",
line 190, in func_log
self.fk = f_log = self.func(*(args[0],)+args[1:])
File "/Users/tlinnet/software/disp_speed/target_functions/relax_disp.py",
line 1483, in func_ns_cpmg_2site_expanded
self.back_calc[0][si][mi][0] =
r2eff_ns_cpmg_2site_expanded(r20=R20[r20_index], pA=pA, dw=dw_frq, k_AB=k_AB,
k_BA=k_BA, relax_time=self.relax_times[0][mi],
inv_relax_time=self.inv_relax_times[0][mi], tcp=self.tau_cpmg[0][mi],
num_points=self.num_disp_points[0][si][mi][0], num_cpmg=self.power[0][mi])
File
"/Users/tlinnet/software/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py",
line 358, in r2eff_ns_cpmg_2site_expanded
low_pos_rep = power(1.e-300, 1./max_t115)
FloatingPointError: divide by zero encountered in divide
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[bug #22065] Systemtest Relax_disp.test_hansen_cpmg_data_missing_auto_analysis has tcp array with multiple nan