Hi,

The comment part "raise an error" is not correct here - this might
confuse future developers as to the intent of your code.  It is rather
setting a warning string.

Cheers,

Edward



On 4 August 2014 16:27,  <tlin...@nmr-relax.com> wrote:
> Author: tlinnet
> Date: Mon Aug  4 16:27:40 2014
> New Revision: 24927
>
> URL: http://svn.gna.org/viewcvs/relax?rev=24927&view=rev
> Log:
> Modified return_r1_data() function, to return numpy array of "None", if model 
> is in list of "MODEL_LIST_R1RHO_FIT_R1".
>
> sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
> rate for the off-resonance R1rho relaxation dispersion models.
>
> Modified:
>     branches/R1_fitting/specific_analyses/relax_disp/data.py
>
> Modified: branches/R1_fitting/specific_analyses/relax_disp/data.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/data.py?rev=24927&r1=24926&r2=24927&view=diff
> ==============================================================================
> --- branches/R1_fitting/specific_analyses/relax_disp/data.py    (original)
> +++ branches/R1_fitting/specific_analyses/relax_disp/data.py    Mon Aug  4 
> 16:27:40 2014
> @@ -79,7 +79,7 @@
>  from pipe_control import value
>  import specific_analyses
>  from specific_analyses.relax_disp.checks import check_exp_type, 
> check_interpolate_offset_cpmg_model, check_mixed_curve_types
> -from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
> EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
> EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_DESC_CPMG_DQ, 
> EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ, 
> EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ, 
> EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO, 
> EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_DPL94, MODEL_LIST_MMQ, 
> MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, 
> MODEL_LIST_R1RHO_W_R1, MODEL_MP05, MODEL_NS_R1RHO_2SITE, MODEL_PARAMS, 
> MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, PARAMS_R20
> +from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
> EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
> EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_DESC_CPMG_DQ, 
> EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ, 
> EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ, 
> EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO, 
> EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_DPL94, MODEL_LIST_MMQ, 
> MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, 
> MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_MP05, 
> MODEL_NS_R1RHO_2SITE, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, 
> PARAMS_R20
>  from stat import S_IRWXU, S_IRGRP, S_IROTH
>  from os import chmod, sep
>
> @@ -4044,6 +4044,12 @@
>                  if spin.model in MODEL_LIST_R1RHO_W_R1:
>                      raise RelaxError(error_text)
>
> +                # For all R1rho models fitting R1, raise an error, set value 
> to None.
> +                elif spin.model in MODEL_LIST_R1RHO_FIT_R1:
> +                    warn_text = "No R1 relaxation data has been loaded.  
> Setting it to None.  This is essential for the proper handling of offsets in 
> off-resonance R1rho experiments."
> +                    for mi in range(field_count):
> +                        r1[si, mi] = None
> +
>                  # For all models not listed in R1rho models, raise a 
> warning, and set 0.0 as value.
>                  else:
>                      warn(RelaxWarning(warn_text))
>
>
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