[bug #22017] LinAlgError, for all numerical CPMG models. -- May 09, 2014 - 10:39

Follow-up Comment #2, bug #22017 (project relax):

It is somewhere in:

def return_r2eff_arrays(spins=None, spin_ids=None, fields=None,
field_count=None, sim_index=None):

/specific_analyses/relax_disp/data.py

The looping over time points is misbehaving.

Under the looping:
for exp_type, frq, offset, point, ei, mi, oi, di in
loop_exp_frq_offset_point(return_indices=True)


-------------------------
        # Loop over the R2eff data.
        for exp_type, frq, offset, point, ei, mi, oi, di in
loop_exp_frq_offset_point(return_indices=True):

            # Alias the correct spin.
            current_spin = spin
            if exp_type in [EXP_TYPE_CPMG_PROTON_SQ,
EXP_TYPE_CPMG_PROTON_MQ]:
                current_spin = proton

            # Add the experiment type.
            if exp_type not in exp_types:
                exp_types.append(exp_type)

            # The key.
            key = return_param_key_from_data(exp_type=exp_type, frq=frq,
offset=offset, point=point)
            if mi == 0:
                fact = 60.83831274541046
            else:
                fact = 81.11775032721394
            
            # The Larmor frequency for this spin (and that of an attached
proton for the MMQ models) and field strength (in MHz*2pi to speed up the ppm
to rad/s conversion).
            if frq != None:
                frqs[ei][si][mi] = 2.0 * pi * frq / g1H *
return_gyromagnetic_ratio(spin.isotope) * 1e-6
                frqs_H[ei][si][mi] = 2.0 * pi * frq * 1e-6

            # Missing data.
            if key not in current_spin.r2eff.keys():
                values[ei][si][mi][oi].append(0.0)
                errors[ei][si][mi][oi].append(1.0)
                missing[ei][si][mi][oi].append(1)
                continue
            else:
                missing[ei][si][mi][oi].append(0)

            # The values.
            if sim_index == None:
                values[ei][si][mi][oi].append(current_spin.r2eff[key])
            else:
               
values[ei][si][mi][oi].append(current_spin.r2eff_sim[sim_index][key])

            # The errors.
            errors[ei][si][mi][oi].append(current_spin.r2eff_err[key])

            # The relaxation times.
            for id in cdp.spectrum_ids:
                # Non-matching data.
                if cdp.spectrometer_frq[id] != frq:
                    continue
                if cdp.exp_type[id] != exp_type:
                    continue
                if exp_type in EXP_TYPE_LIST_CPMG:
                    if id not in cdp.cpmg_frqs.keys() or cdp.cpmg_frqs[id] !=
point:
                        continue
                else:
                    if id not in cdp.spin_lock_nu1.keys() or 
cdp.spin_lock_nu1[id] != point:
                        continue

                # Found.
                relax_time = cdp.relax_times[id]
                break

            # Check the value if already set.
            if relax_times[ei][mi] != None:
                if relax_times[ei][mi] != relax_time:
                    raise RelaxError("The relaxation times do not match for
all experiments.")
                continue

            # Store the time.
            relax_times[ei][mi] = relax_time

        # Increment the spin index.
        si += 1

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