Author: tlinnet Date: Mon Aug 4 16:28:05 2014 New Revision: 24940 URL: http://svn.gna.org/viewcvs/relax?rev=24940&view=rev Log: Added new variable, for models which has parameters with mixed dw, and has four variables 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/variables.py branches/R1_fitting/target_functions/relax_disp.py Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24940&r1=24939&r2=24940&view=diff ============================================================================== --- branches/R1_fitting/specific_analyses/relax_disp/variables.py (original) +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Mon Aug 4 16:28:05 2014 @@ -235,6 +235,9 @@ MODEL_PARAM_DW_MIX_DOUBLE = [MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NS_MMQ_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR] """Models using parameters with mixed dw, and has two variables. For example with both dw and dwH or dw_AB and dw_BC or phi_ex_B and phi_ex_C.""" + +MODEL_PARAM_DW_MIX_QUADRUPLE = [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] +"""Models using parameters with mixed dw, and has four variables. For example with both dw_AB, dw_BC, dwH_AB and dwH_BC.""" Modified: branches/R1_fitting/target_functions/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/target_functions/relax_disp.py?rev=24940&r1=24939&r2=24940&view=diff ============================================================================== --- branches/R1_fitting/target_functions/relax_disp.py (original) +++ branches/R1_fitting/target_functions/relax_disp.py Mon Aug 4 16:28:05 2014 @@ -55,7 +55,7 @@ from lib.errors import RelaxError from lib.float import isNaN from target_functions.chi2 import chi2_rankN -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_LIST_CPMG, EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, MODEL_LIST_R1RHO_FIT_R1, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAM_DW_MIX_DOUBLE, MODEL_PARAM_INV_RELAX_TIMES, MODEL_PARAM_R20B, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01 +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_LIST_CPMG, EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, MODEL_LIST_R1RHO_FIT_R1, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAM_DW_MIX_DOUBLE, MODEL_PARAM_DW_MIX_QUADRUPLE, MODEL_PARAM_INV_RELAX_TIMES, MODEL_PARAM_R20B, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01 class Dispersion: @@ -415,7 +415,7 @@ if model in MODEL_PARAM_DW_MIX_DOUBLE: self.end_index.append(self.end_index[-1] + self.NS) - elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]: + elif model in MODEL_PARAM_DW_MIX_QUADRUPLE: self.end_index.append(self.end_index[-1] + self.NS) self.end_index.append(self.end_index[-1] + self.NS) self.end_index.append(self.end_index[-1] + self.NS)