Author: bugman Date: Sun Dec 1 21:56:32 2013 New Revision: 21728 URL: http://svn.gna.org/viewcvs/relax?rev=21728&view=rev Log: Added the 'NS MMQ 3-site' models to the dispersion variables. This is for the 'NS MMQ 3-site' and 'NS MMQ 3-site (linear)' CPMG dispersion models. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list Modified: trunk/specific_analyses/relax_disp/variables.py Modified: trunk/specific_analyses/relax_disp/variables.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/variables.py?rev=21728&r1=21727&r2=21728&view=diff ============================================================================== --- trunk/specific_analyses/relax_disp/variables.py (original) +++ trunk/specific_analyses/relax_disp/variables.py Sun Dec 1 21:56:32 2013 @@ -124,12 +124,18 @@ MODEL_MMQ_2SITE = 'MMQ 2-site' """The numerical solution for the 2-site Bloch-McConnell equations for combined proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data.""" +MODEL_NS_MMQ_3SITE = 'NS MMQ 3-site' +"""The numerical solution for the 3-site Bloch-McConnell equations for combined proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data.""" + +MODEL_NS_MMQ_3SITE_LINEAR = 'NS MMQ 3-site (linear)' +"""The numerical solution for the 3-site Bloch-McConnell equations with kAC = kCA = 0 for combined proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data.""" + # The model lists. -MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MMQ_2SITE] +MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of all dispersion models (excluding the R2eff model).""" -MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MMQ_2SITE] +MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of the R2eff model together with all dispersion models.""" MODEL_LIST_CPMG = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED] @@ -144,20 +150,20 @@ MODEL_LIST_R1RHO_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_R1RHO_2SITE] """The list of the R2eff model together with all dispersion models specifically for R1rho-type experiments.""" -MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_CR72, MODEL_MMQ_2SITE] +MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of all dispersion models specifically for MQ CPMG-type experiments (excluding the R2eff model).""" -MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_CR72, MODEL_MMQ_2SITE] +MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of the R2eff model together with all dispersion models specifically for MQ CPMG-type experiments.""" -MODEL_LIST_MMQ = [MODEL_MQ_CR72, MODEL_MMQ_2SITE] +MODEL_LIST_MMQ = [MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of all dispersion models specifically for MMQ CPMG-type experiments.""" MODEL_LIST_ANALYTIC = [MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01,MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_MQ_CR72] """The list of all analytic models.""" -MODEL_LIST_NUMERIC = [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MMQ_2SITE] +MODEL_LIST_NUMERIC = [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of all numeric models.""" -MODEL_LIST_NUMERIC_CPMG = [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_MMQ_2SITE] +MODEL_LIST_NUMERIC_CPMG = [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] """The list of all numeric models."""