[bug #22541] The R1 fit flag does not work in the GUI. -- August 28, 2014 - 14:41

URL:
  <http://gna.org/bugs/?22541>

                 Summary: The R1 fit flag does not work in the GUI.
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Thu 28 Aug 2014 12:41:51 PM UTC
                Category: None
Specific analysis category: None
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: trunk
         Discussion Lock: Any
        Operating System: None

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Details:

How to reproduce.

1) Go to:
relax_trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013

2) Start relax
relax -g

3) Start Relaxation dispersion analysis.

4) User function. "script"
Open: 1_setup_r1rho_GUI.py

5) User function: deselect.all

6) User function: select.spin ':52@N'

7) Model: R2eff, No Rex, DPL94

6) Set 10 MC for both exp and model

7) Toogle R1 fit

8) Execute

relax> minimise.grid_search(lower=None, upper=None, inc=21, verbosity=1,
constraints=True, skip_preset=True)
Exception raised in thread.

Traceback (most recent call last):
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/gui/analyses/execute.py",
line 87, in run
    self.run_analysis()
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/gui/analyses/auto_relax_disp.py",
line 725, in run_analysis
    Relax_disp(pipe_name=self.data.pipe_name,
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir,
models=self.data.models, grid_inc=self.data.inc,
mc_sim_num=self.data.mc_sim_num, exp_mc_sim_num=self.data.exp_mc_sim_num,
pre_run_dir=self.data.pre_run_dir,
mc_sim_all_models=self.data.mc_sim_all_models,
insignificance=self.data.insignificance, numeric_only=self.data.numeric_only,
r1_fit=self.data.r1_fit)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py",
line 136, in __init__
    self.run()
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py",
line 627, in run
    self.optimise(model=model, model_path=model_path)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py",
line 411, in optimise
    self.interpreter.minimise.grid_search(inc=self.grid_inc)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/prompt/uf_objects.py", line
223, in __call__
    self._backend(*new_args, **uf_kargs)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/pipe_control/minimise.py",
line 171, in grid_search
    model_lower, model_upper, model_inc = grid_setup(lower, upper, inc,
verbosity=verbosity, skip_preset=skip_preset)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/pipe_control/minimise.py",
line 248, in grid_setup
    values = api.get_param_values(model_info)
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/api.py",
line 463, in get_param_values
    values.append(get_value(spins=spins, sim_index=sim_index,
param_name=param_name, spin_index=si, r20_key=r20_key))
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/parameters.py",
line 393, in get_value
    obj = getattr(spins[spin_index], param_name)
AttributeError: 'SpinContainer' object has no attribute 'r1'




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