Author: tlinnet Date: Tue Aug 12 10:54:36 2014 New Revision: 24983 URL: http://svn.gna.org/viewcvs/relax?rev=24983&view=rev Log: Added meta information about equation type. The models are dividided into: analytic, silico or numeric. 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/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.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=24983&r1=24982&r2=24983&view=diff ============================================================================== --- branches/R1_fitting/specific_analyses/relax_disp/variables.py (original) +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue Aug 12 10:54:36 2014 @@ -59,6 +59,12 @@ """The list of all dispersion experiment types.""" +# Model equation types. Either analytic, silico or numeric. +EQ_ANALYTIC = 'analytic' +EQ_NUMERIC = 'numeric' +EQ_SILICO = 'silico' + + # The model names, parameters, and descriptions. MODEL_R2EFF = 'R2eff' MODEL_DESC_R2EFF = "The model for determining the R2eff/R1rho values from peak intensities." @@ -67,6 +73,7 @@ MODEL_YEAR_R2EFF = 1950 MODEL_EXP_TYPE_R2EFF = EXP_TYPE_R2EFF MODEL_SITES_R2EFF = None +MODEL_EQ_R2EFF = EQ_ANALYTIC MODEL_NOREX = 'No Rex' MODEL_DESC_NOREX = "The model for no chemical exchange relaxation." @@ -75,6 +82,7 @@ MODEL_YEAR_NOREX = 1951 MODEL_EXP_TYPE_NOREX = EXP_TYPE_NOREX MODEL_SITES_NOREX = 1 +MODEL_EQ_NOREX = EQ_ANALYTIC MODEL_NOREX_R1RHO = "No_Rex_R1rho_off_res" MODEL_DESC_NOREX_R1RHO = "The model for no chemical exchange relaxation, for R1rho off resonance models." @@ -83,6 +91,7 @@ MODEL_YEAR_NOREX_R1RHO = 1952 MODEL_EXP_TYPE_NOREX_R1RHO = EXP_TYPE_NOREX_R1RHO MODEL_SITES_NOREX_R1RHO = 1 +MODEL_EQ_NOREX_R1RHO = EQ_ANALYTIC MODEL_NOREX_R1RHO_FIT_R1 = "%s_fit_r1"%MODEL_NOREX_R1RHO MODEL_DESC_NOREX_R1RHO_FIT_R1 = "The model for no chemical exchange relaxation, for R1rho off resonance models, where R1 is fitted." @@ -91,6 +100,7 @@ MODEL_YEAR_NOREX_R1RHO_FIT_R1 = 1953 MODEL_EXP_TYPE_NOREX_R1RHO_FIT_R1 = EXP_TYPE_NOREX_R1RHO MODEL_SITES_NOREX_R1RHO_FIT_R1 = 1 +MODEL_EQ_NOREX_R1RHO_FIT_R1 = EQ_ANALYTIC MODEL_LM63 = 'LM63' MODEL_DESC_LM63 = "The Luz and Meiboom (1963) 2-site fast exchange model for SQ-CPMG experiments." @@ -98,6 +108,7 @@ MODEL_YEAR_LM63 = 1963 MODEL_EXP_TYPE_LM63 = EXP_TYPE_CPMG_SQ MODEL_SITES_LM63 = 2 +MODEL_EQ_LM63 = EQ_ANALYTIC MODEL_LM63_3SITE = 'LM63 3-site' MODEL_DESC_LM63_3SITE = "The Luz and Meiboom (1963) 3-site fast exchange model for SQ-CPMG experiments." @@ -105,6 +116,7 @@ MODEL_YEAR_LM63_3SITE = 1963 MODEL_EXP_TYPE_LM63_3SITE = EXP_TYPE_CPMG_SQ MODEL_SITES_LM63_3SITE = 3 +MODEL_EQ_LM63_3SITE = EQ_ANALYTIC MODEL_CR72 = 'CR72' MODEL_DESC_CR72 = "The reduced Carver and Richards (1972) 2-site model for all time scales for SQ-CPMG experiments, whereby the simplification R20A = R20B is assumed." @@ -112,6 +124,7 @@ MODEL_YEAR_CR72 = 1972 MODEL_EXP_TYPE_CR72 = EXP_TYPE_CPMG_SQ MODEL_SITES_CR72 = 2 +MODEL_EQ_CR72 = EQ_ANALYTIC MODEL_CR72_FULL = 'CR72 full' MODEL_DESC_CR72_FULL = "The full Carver and Richards (1972) 2-site model for all time scales for SQ-CPMG experiments." @@ -119,6 +132,7 @@ MODEL_YEAR_CR72_FULL = 1972 MODEL_EXP_TYPE_CR72_FULL = EXP_TYPE_CPMG_SQ MODEL_SITES_CR72_FULL = 2 +MODEL_EQ_CR72_FULL = EQ_ANALYTIC MODEL_IT99 = 'IT99' MODEL_DESC_IT99 = "The Ishima and Torchia (1999) 2-site CPMG model for all time scales for SQ-CPMG experiments, with skewed populations (pA >> pB)." @@ -126,6 +140,7 @@ MODEL_YEAR_IT99 = 1999 MODEL_EXP_TYPE_IT99 = EXP_TYPE_CPMG_SQ MODEL_SITES_IT99 = 2 +MODEL_EQ_IT99 = EQ_ANALYTIC MODEL_TSMFK01 = 'TSMFK01' MODEL_DESC_TSMFK01 = "The Tollinger et al. (2001) 2-site very-slow exchange model for SQ-CPMG experiments." @@ -133,6 +148,7 @@ MODEL_YEAR_TSMFK01 = 2001 MODEL_EXP_TYPE_TSMFK01 = EXP_TYPE_CPMG_SQ MODEL_SITES_TSMFK01 = 2 +MODEL_EQ_TSMFK01 = EQ_ANALYTIC MODEL_B14 = 'B14' MODEL_DESC_B14 = "The Baldwin (2014) 2-site CPMG exact solution model for all time scales for SQ-CPMG experiments, whereby the simplification R20A = R20B is assumed." @@ -140,6 +156,7 @@ MODEL_YEAR_B14 = 2014 MODEL_EXP_TYPE_B14 = EXP_TYPE_CPMG_SQ MODEL_SITES_B14 = 2 +MODEL_EQ_B14 = EQ_ANALYTIC MODEL_B14_FULL = 'B14 full' MODEL_DESC_B14_FULL = "The Baldwin (2014) 2-site CPMG exact solution model for all time scales for SQ-CPMG experiments." @@ -147,6 +164,7 @@ MODEL_YEAR_B14_FULL = 2014 MODEL_EXP_TYPE_B14_FULL = EXP_TYPE_CPMG_SQ MODEL_SITES_B14_FULL = 2 +MODEL_EQ_B14_FULL = EQ_ANALYTIC MODEL_M61 = 'M61' MODEL_DESC_M61 = "The Meiboom (1961) on-resonance 2-site fast exchange model for R1rho-type experiments." @@ -154,6 +172,7 @@ MODEL_YEAR_M61 = 1961 MODEL_EXP_TYPE_M61 = EXP_TYPE_R1RHO MODEL_SITES_M61 = 2 +MODEL_EQ_M61 = EQ_ANALYTIC MODEL_M61B = 'M61 skew' MODEL_DESC_M61B = "The Meiboom (1961) on-resonance 2-site model for R1rho-type experiments, with skewed populations (pA >> pB)." @@ -161,6 +180,7 @@ MODEL_YEAR_M61B = 1961 MODEL_EXP_TYPE_M61B = EXP_TYPE_R1RHO MODEL_SITES_M61B = 2 +MODEL_EQ_M61B = EQ_ANALYTIC MODEL_DPL94 = 'DPL94' """The R1rho 2-site fast exchange model of Davis, Perlman and London (1994).""" @@ -169,6 +189,7 @@ MODEL_YEAR_DPL94 = 1994 MODEL_EXP_TYPE_DPL94 = EXP_TYPE_R1RHO MODEL_SITES_DPL94 = 2 +MODEL_EQ_DPL94 = EQ_ANALYTIC MODEL_DPL94_FIT_R1 = "%s_fit_r1"%MODEL_DPL94 """The R1rho 2-site fast exchange model of Davis, Perlman and London (1994), where R1 is fitted.""" @@ -177,6 +198,7 @@ MODEL_YEAR_DPL94_FIT_R1 = 1994 MODEL_EXP_TYPE_DPL94_FIT_R1 = EXP_TYPE_R1RHO MODEL_SITES_DPL94_FIT_R1 = 2 +MODEL_EQ_DPL94_FIT_R1 = EQ_ANALYTIC MODEL_TP02 = 'TP02' MODEL_DESC_TP02 = "The Trott and Palmer (2002) off-resonance 2-site model for R1rho-type experiments." @@ -184,6 +206,7 @@ MODEL_YEAR_TP02 = 2002 MODEL_EXP_TYPE_TP02 = EXP_TYPE_R1RHO MODEL_SITES_TP02 = 2 +MODEL_EQ_TP02 = EQ_ANALYTIC MODEL_TP02_FIT_R1 = "%s_fit_r1"%MODEL_TP02 MODEL_DESC_TP02_FIT_R1 = "The Trott and Palmer (2002) off-resonance 2-site model for R1rho-type experiments, where R1 is fitted." @@ -191,6 +214,7 @@ MODEL_YEAR_TP02_FIT_R1 = 2002 MODEL_EXP_TYPE_TP02_FIT_R1 = EXP_TYPE_R1RHO MODEL_SITES_TP02_FIT_R1 = 2 +MODEL_EQ_TP02_FIT_R1 = EQ_ANALYTIC MODEL_TAP03 = 'TAP03' MODEL_DESC_TAP03 = "The Trott, Abergel and Palmer (2003) off-resonance 2-site model for R1rho-type experiments." @@ -198,6 +222,7 @@ MODEL_YEAR_TAP03 = 2003 MODEL_EXP_TYPE_TAP03 = EXP_TYPE_R1RHO MODEL_SITES_TAP03 = 2 +MODEL_EQ_TAP03 = EQ_ANALYTIC MODEL_TAP03_FIT_R1 = "%s_fit_r1"%MODEL_TAP03 MODEL_DESC_TAP03_FIT_R1 = "The Trott, Abergel and Palmer (2003) off-resonance 2-site model for R1rho-type experiments, where R1 is fitted." @@ -205,6 +230,7 @@ MODEL_YEAR_TAP03_FIT_R1 = 2003 MODEL_EXP_TYPE_TAP03_FIT_R1 = EXP_TYPE_R1RHO MODEL_SITES_TAP03_FIT_R1 = 2 +MODEL_EQ_TAP03_FIT_R1 = EQ_ANALYTIC MODEL_MP05 = 'MP05' """The R1rho 2-site off-resonance exchange model of Miloushev and Palmer (2005).""" @@ -213,6 +239,7 @@ MODEL_YEAR_MP05 = 2005 MODEL_EXP_TYPE_MP05 = EXP_TYPE_R1RHO MODEL_SITES_MP05 = 2 +MODEL_EQ_MP05 = EQ_ANALYTIC MODEL_MP05_FIT_R1 = "%s_fit_r1"%MODEL_MP05 """The R1rho 2-site off-resonance exchange model of Miloushev and Palmer (2005).""" @@ -221,6 +248,7 @@ MODEL_YEAR_MP05_FIT_R1 = 2005 MODEL_EXP_TYPE_MP05_FIT_R1 = EXP_TYPE_R1RHO MODEL_SITES_MP05_FIT_R1 = 2 +MODEL_EQ_MP05_FIT_R1 = EQ_ANALYTIC # The Numerical model names. @@ -230,6 +258,7 @@ MODEL_YEAR_NS_CPMG_2SITE_3D = 2004 MODEL_EXP_TYPE_NS_CPMG_2SITE_3D = EXP_TYPE_CPMG_SQ MODEL_SITES_NS_CPMG_2SITE_3D = 2 +MODEL_EQ_NS_CPMG_2SITE_3D = EQ_NUMERIC MODEL_NS_CPMG_2SITE_3D_FULL = 'NS CPMG 2-site 3D full' MODEL_DESC_NS_CPMG_2SITE_3D_FULL = "The full numerical solution for the 2-site Bloch-McConnell equations using 3D magnetisation vectors for SQ CPMG experiments." @@ -237,6 +266,7 @@ MODEL_YEAR_NS_CPMG_2SITE_3D_FULL = 2004 MODEL_EXP_TYPE_NS_CPMG_2SITE_3D_FULL = EXP_TYPE_CPMG_SQ MODEL_SITES_NS_CPMG_2SITE_3D_FULL = 2 +MODEL_EQ_NS_CPMG_2SITE_3D_FULL = EQ_NUMERIC MODEL_NS_CPMG_2SITE_STAR = 'NS CPMG 2-site star' MODEL_DESC_NS_CPMG_2SITE_STAR = "The numerical reduced solution for the 2-site Bloch-McConnell equations using complex conjugate matrices for SQ CPMG experiments, whereby the simplification R20A = R20B is assumed." @@ -244,6 +274,7 @@ MODEL_YEAR_NS_CPMG_2SITE_STAR = 2004 MODEL_EXP_TYPE_NS_CPMG_2SITE_STAR = EXP_TYPE_CPMG_SQ MODEL_SITES_NS_CPMG_2SITE_STAR = 2 +MODEL_EQ_NS_CPMG_2SITE_STAR = EQ_NUMERIC MODEL_NS_CPMG_2SITE_STAR_FULL = 'NS CPMG 2-site star full' MODEL_DESC_NS_CPMG_2SITE_STAR_FULL = "The full numerical solution for the 2-site Bloch-McConnell equations using complex conjugate matrices for SQ CPMG experiments." @@ -251,6 +282,7 @@ MODEL_YEAR_NS_CPMG_2SITE_STAR_FULL = 2004 MODEL_EXP_TYPE_NS_CPMG_2SITE_STAR_FULL = EXP_TYPE_CPMG_SQ MODEL_SITES_NS_CPMG_2SITE_STAR_FULL = 2 +MODEL_EQ_NS_CPMG_2SITE_STAR_FULL = EQ_NUMERIC MODEL_NS_CPMG_2SITE_EXPANDED = 'NS CPMG 2-site expanded' MODEL_DESC_NS_CPMG_2SITE_EXPANDED = "The numerical solution for the 2-site Bloch-McConnell equations for SQ CPMG experiments, expanded using Maple by Nikolai Skrynnikov." @@ -258,6 +290,7 @@ MODEL_YEAR_NS_CPMG_2SITE_EXPANDED = 2001 MODEL_EXP_TYPE_NS_CPMG_2SITE_EXPANDED = EXP_TYPE_CPMG_SQ MODEL_SITES_NS_CPMG_2SITE_EXPANDED = 2 +MODEL_EQ_NS_CPMG_2SITE_EXPANDED = EQ_SILICO MODEL_NS_R1RHO_2SITE = 'NS R1rho 2-site' MODEL_DESC_NS_R1RHO_2SITE = "The reduced numerical solution for the 2-site Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type experiments, whereby the simplification R20A = R20B is assumed." @@ -265,6 +298,7 @@ MODEL_YEAR_NS_R1RHO_2SITE = 2005 MODEL_EXP_TYPE_NS_R1RHO_2SITE = EXP_TYPE_R1RHO MODEL_SITES_NS_R1RHO_2SITE = 2 +MODEL_EQ_NS_R1RHO_2SITE = EQ_NUMERIC MODEL_NS_R1RHO_2SITE_FIT_R1 = "%s_fit_r1"%MODEL_NS_R1RHO_2SITE MODEL_DESC_NS_R1RHO_2SITE_FIT_R1 = "The reduced numerical solution for the 2-site Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type experiments, whereby the simplification R20A = R20B is assumed, and where R1 is fitted." @@ -272,6 +306,7 @@ MODEL_YEAR_NS_R1RHO_2SITE_FIT_R1 = 2005 MODEL_EXP_TYPE_NS_R1RHO_2SITE_FIT_R1 = EXP_TYPE_R1RHO MODEL_SITES_NS_R1RHO_2SITE_FIT_R1 = 2 +MODEL_EQ_NS_R1RHO_2SITE_FIT_R1 = EQ_NUMERIC MODEL_NS_R1RHO_3SITE = 'NS R1rho 3-site' MODEL_DESC_NS_R1RHO_3SITE = "The numerical solution for the 3-site Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type experiments, whereby the simplification R20A = R20B = R20C is assumed." @@ -279,6 +314,7 @@ MODEL_YEAR_NS_R1RHO_3SITE = 2005 MODEL_EXP_TYPE_NS_R1RHO_3SITE = EXP_TYPE_R1RHO MODEL_SITES_NS_R1RHO_3SITE = 3 +MODEL_EQ_NS_R1RHO_3SITE = EQ_NUMERIC MODEL_NS_R1RHO_3SITE_LINEAR = 'NS R1rho 3-site linear' MODEL_DESC_NS_R1RHO_3SITE_LINEAR = "The numerical solution for the 3-site Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type experiments, linearised with kAC = kCA = 0 and whereby the simplification R20A = R20B = R20C is assumed." @@ -286,6 +322,7 @@ MODEL_YEAR_NS_R1RHO_3SITE_LINEAR = 2005 MODEL_EXP_TYPE_NS_R1RHO_3SITE_LINEAR = EXP_TYPE_R1RHO MODEL_SITES_NS_R1RHO_3SITE_LINEAR = 3 +MODEL_EQ_NS_R1RHO_3SITE_LINEAR = EQ_NUMERIC # The multi-quantum data model names. MODEL_MMQ_CR72 = 'MMQ CR72' @@ -294,6 +331,7 @@ MODEL_YEAR_MMQ_CR72 = 2004 MODEL_EXP_TYPE_MMQ_CR72 = EXP_TYPE_CPMG_MMQ MODEL_SITES_MMQ_CR72 = 2 +MODEL_EQ_MMQ_CR72 = EQ_ANALYTIC MODEL_NS_MMQ_2SITE = 'NS MMQ 2-site' MODEL_DESC_NS_MMQ_2SITE = "The reduced numerical solution for the 2-site Bloch-McConnell equations for MMQ CPMG experiments, whereby the simplification R20A = R20B is assumed." @@ -301,6 +339,7 @@ MODEL_YEAR_NS_MMQ_2SITE = 2005 MODEL_EXP_TYPE_NS_MMQ_2SITE = EXP_TYPE_CPMG_MMQ MODEL_SITES_NS_MMQ_2SITE = 2 +MODEL_EQ_NS_MMQ_2SITE = EQ_NUMERIC MODEL_NS_MMQ_3SITE = 'NS MMQ 3-site' MODEL_DESC_NS_MMQ_3SITE = "The numerical solution for the 3-site Bloch-McConnell equations for MMQ CPMG experiments, whereby the simplification R20A = R20B = R20C is assumed." @@ -308,6 +347,7 @@ MODEL_YEAR_NS_MMQ_3SITE = 2005 MODEL_EXP_TYPE_NS_MMQ_3SITE = EXP_TYPE_CPMG_MMQ MODEL_SITES_NS_MMQ_3SITE = 3 +MODEL_EQ_NS_MMQ_3SITE = EQ_NUMERIC MODEL_NS_MMQ_3SITE_LINEAR = 'NS MMQ 3-site linear' MODEL_DESC_NS_MMQ_3SITE_LINEAR = "The numerical solution for the 3-site Bloch-McConnell equations for MMQ CPMG experiments, linearised with kAC = kCA = 0 and whereby the simplification R20A = R20B = R20C is assumed." @@ -315,6 +355,7 @@ MODEL_YEAR_NS_MMQ_3SITE_LINEAR = 2005 MODEL_EXP_TYPE_NS_MMQ_3SITE_LINEAR = EXP_TYPE_CPMG_MMQ MODEL_SITES_NS_MMQ_3SITE_LINEAR = 3 +MODEL_EQ_NS_MMQ_3SITE_LINEAR = EQ_NUMERIC # The parameters. PARAMS_R20 = ['r2', 'r2a', 'r2b'] @@ -650,4 +691,43 @@ MODEL_NS_MMQ_2SITE: MODEL_SITES_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE: MODEL_SITES_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR: MODEL_SITES_NS_MMQ_3SITE_LINEAR +} + +# Full list of equation type. +MODEL_EQ = { + MODEL_R2EFF: MODEL_EQ_R2EFF, + MODEL_NOREX: MODEL_EQ_NOREX, + MODEL_NOREX_R1RHO: MODEL_EQ_NOREX_R1RHO, + MODEL_NOREX_R1RHO_FIT_R1: MODEL_EQ_NOREX_R1RHO_FIT_R1, + MODEL_LM63: MODEL_EQ_LM63, + MODEL_LM63_3SITE: MODEL_EQ_LM63_3SITE, + MODEL_CR72: MODEL_EQ_CR72, + MODEL_CR72_FULL: MODEL_EQ_CR72_FULL, + MODEL_IT99: MODEL_EQ_IT99, + MODEL_TSMFK01: MODEL_EQ_TSMFK01, + MODEL_B14: MODEL_EQ_B14, + MODEL_B14_FULL: MODEL_EQ_B14_FULL, + MODEL_M61: MODEL_EQ_M61, + MODEL_M61B: MODEL_EQ_M61B, + MODEL_DPL94: MODEL_EQ_DPL94, + MODEL_DPL94_FIT_R1: MODEL_EQ_DPL94_FIT_R1, + MODEL_TP02: MODEL_EQ_TP02, + MODEL_TP02_FIT_R1: MODEL_EQ_TP02_FIT_R1, + MODEL_TAP03: MODEL_EQ_TAP03, + MODEL_TAP03_FIT_R1: MODEL_EQ_TAP03_FIT_R1, + MODEL_MP05: MODEL_EQ_MP05, + MODEL_MP05_FIT_R1: MODEL_EQ_MP05_FIT_R1, + MODEL_NS_CPMG_2SITE_3D: MODEL_EQ_NS_CPMG_2SITE_3D, + MODEL_NS_CPMG_2SITE_3D_FULL: MODEL_EQ_NS_CPMG_2SITE_3D_FULL, + MODEL_NS_CPMG_2SITE_STAR: MODEL_EQ_NS_CPMG_2SITE_STAR, + MODEL_NS_CPMG_2SITE_STAR_FULL: MODEL_EQ_NS_CPMG_2SITE_STAR_FULL, + MODEL_NS_CPMG_2SITE_EXPANDED: MODEL_EQ_NS_CPMG_2SITE_EXPANDED, + MODEL_NS_R1RHO_2SITE: MODEL_EQ_NS_R1RHO_2SITE, + MODEL_NS_R1RHO_2SITE_FIT_R1: MODEL_EQ_NS_R1RHO_2SITE_FIT_R1, + MODEL_NS_R1RHO_3SITE: MODEL_EQ_NS_R1RHO_3SITE, + MODEL_NS_R1RHO_3SITE_LINEAR: MODEL_EQ_NS_R1RHO_3SITE_LINEAR, + MODEL_MMQ_CR72: MODEL_EQ_MMQ_CR72, + MODEL_NS_MMQ_2SITE: MODEL_EQ_NS_MMQ_2SITE, + MODEL_NS_MMQ_3SITE: MODEL_EQ_NS_MMQ_3SITE, + MODEL_NS_MMQ_3SITE_LINEAR: MODEL_EQ_NS_MMQ_3SITE_LINEAR } Modified: branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py?rev=24983&r1=24982&r2=24983&view=diff ============================================================================== --- branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py (original) +++ branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py Tue Aug 12 10:54:36 2014 @@ -20,8 +20,8 @@ ############################################################################### # relax module imports. -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_MMQ_CR72, MODEL_NS_R1RHO_3SITE -from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE, MODEL_PARAMS, MODEL_SITES, MODEL_YEAR +from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_MMQ_CR72, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_3SITE +from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE, MODEL_EQ, MODEL_PARAMS, MODEL_SITES, MODEL_YEAR from test_suite.unit_tests.base_classes import UnitTestCase @@ -67,3 +67,13 @@ # Test the return. self.assertEqual(model_sites, 3) + + + def test_MODEL_EQ(self): + """Unit test of the MODEL_EQ dictionary.""" + + # Test model equation type return from model equation dictionary. + model_eq = MODEL_EQ[MODEL_NS_CPMG_2SITE_EXPANDED] + + # Test the return. + self.assertEqual(model_eq, 'silico')