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))