Author: tlinnet Date: Mon Aug 11 09:09:28 2014 New Revision: 24982 URL: http://svn.gna.org/viewcvs/relax?rev=24982&view=rev Log: Added model meta information about number of chemical exchange sites. 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=24982&r1=24981&r2=24982&view=diff ============================================================================== --- branches/R1_fitting/specific_analyses/relax_disp/variables.py (original) +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Mon Aug 11 09:09:28 2014 @@ -66,6 +66,7 @@ # This year is fake. Just to get the order correct. MODEL_YEAR_R2EFF = 1950 MODEL_EXP_TYPE_R2EFF = EXP_TYPE_R2EFF +MODEL_SITES_R2EFF = None MODEL_NOREX = 'No Rex' MODEL_DESC_NOREX = "The model for no chemical exchange relaxation." @@ -73,6 +74,7 @@ # This year is fake. Just to get the order correct. MODEL_YEAR_NOREX = 1951 MODEL_EXP_TYPE_NOREX = EXP_TYPE_NOREX +MODEL_SITES_NOREX = 1 MODEL_NOREX_R1RHO = "No_Rex_R1rho_off_res" MODEL_DESC_NOREX_R1RHO = "The model for no chemical exchange relaxation, for R1rho off resonance models." @@ -80,6 +82,7 @@ # This year is fake. Just to get the order correct. MODEL_YEAR_NOREX_R1RHO = 1952 MODEL_EXP_TYPE_NOREX_R1RHO = EXP_TYPE_NOREX_R1RHO +MODEL_SITES_NOREX_R1RHO = 1 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." @@ -87,66 +90,77 @@ # This year is fake. Just to get the order correct. 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_LM63 = 'LM63' MODEL_DESC_LM63 = "The Luz and Meiboom (1963) 2-site fast exchange model for SQ-CPMG experiments." MODEL_PARAMS_LM63 = ['r2', 'phi_ex', 'kex'] MODEL_YEAR_LM63 = 1963 MODEL_EXP_TYPE_LM63 = EXP_TYPE_CPMG_SQ +MODEL_SITES_LM63 = 2 MODEL_LM63_3SITE = 'LM63 3-site' MODEL_DESC_LM63_3SITE = "The Luz and Meiboom (1963) 3-site fast exchange model for SQ-CPMG experiments." MODEL_PARAMS_LM63_3SITE = ['r2', 'phi_ex_B', 'phi_ex_C', 'kB', 'kC'] MODEL_YEAR_LM63_3SITE = 1963 MODEL_EXP_TYPE_LM63_3SITE = EXP_TYPE_CPMG_SQ +MODEL_SITES_LM63_3SITE = 3 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." MODEL_PARAMS_CR72 = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_CR72 = 1972 MODEL_EXP_TYPE_CR72 = EXP_TYPE_CPMG_SQ +MODEL_SITES_CR72 = 2 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." MODEL_PARAMS_CR72_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex'] MODEL_YEAR_CR72_FULL = 1972 MODEL_EXP_TYPE_CR72_FULL = EXP_TYPE_CPMG_SQ +MODEL_SITES_CR72_FULL = 2 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)." MODEL_PARAMS_IT99 = ['r2', 'pA', 'dw', 'tex'] MODEL_YEAR_IT99 = 1999 MODEL_EXP_TYPE_IT99 = EXP_TYPE_CPMG_SQ +MODEL_SITES_IT99 = 2 MODEL_TSMFK01 = 'TSMFK01' MODEL_DESC_TSMFK01 = "The Tollinger et al. (2001) 2-site very-slow exchange model for SQ-CPMG experiments." MODEL_PARAMS_TSMFK01 = ['r2a', 'dw', 'k_AB'] MODEL_YEAR_TSMFK01 = 2001 MODEL_EXP_TYPE_TSMFK01 = EXP_TYPE_CPMG_SQ +MODEL_SITES_TSMFK01 = 2 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." MODEL_PARAMS_B14 = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_B14 = 2014 MODEL_EXP_TYPE_B14 = EXP_TYPE_CPMG_SQ +MODEL_SITES_B14 = 2 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." MODEL_PARAMS_B14_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex'] MODEL_YEAR_B14_FULL = 2014 MODEL_EXP_TYPE_B14_FULL = EXP_TYPE_CPMG_SQ +MODEL_SITES_B14_FULL = 2 MODEL_M61 = 'M61' MODEL_DESC_M61 = "The Meiboom (1961) on-resonance 2-site fast exchange model for R1rho-type experiments." MODEL_PARAMS_M61 = ['r2', 'phi_ex', 'kex'] MODEL_YEAR_M61 = 1961 MODEL_EXP_TYPE_M61 = EXP_TYPE_R1RHO +MODEL_SITES_M61 = 2 MODEL_M61B = 'M61 skew' MODEL_DESC_M61B = "The Meiboom (1961) on-resonance 2-site model for R1rho-type experiments, with skewed populations (pA >> pB)." MODEL_PARAMS_M61B = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_M61B = 1961 MODEL_EXP_TYPE_M61B = EXP_TYPE_R1RHO +MODEL_SITES_M61B = 2 MODEL_DPL94 = 'DPL94' """The R1rho 2-site fast exchange model of Davis, Perlman and London (1994).""" @@ -154,6 +168,7 @@ MODEL_PARAMS_DPL94 = ['r2', 'phi_ex', 'kex'] MODEL_YEAR_DPL94 = 1994 MODEL_EXP_TYPE_DPL94 = EXP_TYPE_R1RHO +MODEL_SITES_DPL94 = 2 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.""" @@ -161,30 +176,35 @@ MODEL_PARAMS_DPL94_FIT_R1 = ['r1_fit', 'r2', 'phi_ex', 'kex'] MODEL_YEAR_DPL94_FIT_R1 = 1994 MODEL_EXP_TYPE_DPL94_FIT_R1 = EXP_TYPE_R1RHO +MODEL_SITES_DPL94_FIT_R1 = 2 MODEL_TP02 = 'TP02' MODEL_DESC_TP02 = "The Trott and Palmer (2002) off-resonance 2-site model for R1rho-type experiments." MODEL_PARAMS_TP02 = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_TP02 = 2002 MODEL_EXP_TYPE_TP02 = EXP_TYPE_R1RHO +MODEL_SITES_TP02 = 2 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." MODEL_PARAMS_TP02_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] MODEL_YEAR_TP02_FIT_R1 = 2002 MODEL_EXP_TYPE_TP02_FIT_R1 = EXP_TYPE_R1RHO +MODEL_SITES_TP02_FIT_R1 = 2 MODEL_TAP03 = 'TAP03' MODEL_DESC_TAP03 = "The Trott, Abergel and Palmer (2003) off-resonance 2-site model for R1rho-type experiments." MODEL_PARAMS_TAP03 = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_TAP03 = 2003 MODEL_EXP_TYPE_TAP03 = EXP_TYPE_R1RHO +MODEL_SITES_TAP03 = 2 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." MODEL_PARAMS_TAP03_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] MODEL_YEAR_TAP03_FIT_R1 = 2003 MODEL_EXP_TYPE_TAP03_FIT_R1 = EXP_TYPE_R1RHO +MODEL_SITES_TAP03_FIT_R1 = 2 MODEL_MP05 = 'MP05' """The R1rho 2-site off-resonance exchange model of Miloushev and Palmer (2005).""" @@ -192,6 +212,7 @@ MODEL_PARAMS_MP05 = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_MP05 = 2005 MODEL_EXP_TYPE_MP05 = EXP_TYPE_R1RHO +MODEL_SITES_MP05 = 2 MODEL_MP05_FIT_R1 = "%s_fit_r1"%MODEL_MP05 """The R1rho 2-site off-resonance exchange model of Miloushev and Palmer (2005).""" @@ -199,6 +220,7 @@ MODEL_PARAMS_MP05_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] MODEL_YEAR_MP05_FIT_R1 = 2005 MODEL_EXP_TYPE_MP05_FIT_R1 = EXP_TYPE_R1RHO +MODEL_SITES_MP05_FIT_R1 = 2 # The Numerical model names. @@ -207,55 +229,63 @@ MODEL_PARAMS_NS_CPMG_2SITE_3D = ['r2', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_CPMG_2SITE_3D_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_CPMG_2SITE_STAR = ['r2', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_CPMG_2SITE_STAR_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_CPMG_2SITE_EXPANDED = ['r2', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_R1RHO_2SITE = ['r2', 'pA', 'dw', 'kex'] MODEL_YEAR_NS_R1RHO_2SITE = 2005 MODEL_EXP_TYPE_NS_R1RHO_2SITE = EXP_TYPE_R1RHO +MODEL_SITES_NS_R1RHO_2SITE = 2 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." MODEL_PARAMS_NS_R1RHO_2SITE_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] 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_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." MODEL_PARAMS_NS_R1RHO_3SITE = ['r2', 'pA', 'dw_AB', 'kex_AB', 'pB', 'dw_BC', 'kex_BC', 'kex_AC'] MODEL_YEAR_NS_R1RHO_3SITE = 2005 MODEL_EXP_TYPE_NS_R1RHO_3SITE = EXP_TYPE_R1RHO +MODEL_SITES_NS_R1RHO_3SITE = 3 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." MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR = ['r2', 'pA', 'dw_AB', 'kex_AB', 'pB', 'dw_BC', 'kex_BC'] MODEL_YEAR_NS_R1RHO_3SITE_LINEAR = 2005 MODEL_EXP_TYPE_NS_R1RHO_3SITE_LINEAR = EXP_TYPE_R1RHO - +MODEL_SITES_NS_R1RHO_3SITE_LINEAR = 3 # The multi-quantum data model names. MODEL_MMQ_CR72 = 'MMQ CR72' @@ -263,24 +293,28 @@ MODEL_PARAMS_MMQ_CR72 = ['r2', 'pA', 'dw', 'dwH', 'kex'] MODEL_YEAR_MMQ_CR72 = 2004 MODEL_EXP_TYPE_MMQ_CR72 = EXP_TYPE_CPMG_MMQ +MODEL_SITES_MMQ_CR72 = 2 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." MODEL_PARAMS_NS_MMQ_2SITE = ['r2', 'pA', 'dw', 'dwH', 'kex'] MODEL_YEAR_NS_MMQ_2SITE = 2005 MODEL_EXP_TYPE_NS_MMQ_2SITE = EXP_TYPE_CPMG_MMQ +MODEL_SITES_NS_MMQ_2SITE = 2 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." MODEL_PARAMS_NS_MMQ_3SITE = ['r2', 'pA', 'dw_AB', 'dwH_AB', 'kex_AB', 'pB', 'dw_BC', 'dwH_BC', 'kex_BC', 'kex_AC'] MODEL_YEAR_NS_MMQ_3SITE = 2005 MODEL_EXP_TYPE_NS_MMQ_3SITE = EXP_TYPE_CPMG_MMQ +MODEL_SITES_NS_MMQ_3SITE = 3 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." MODEL_PARAMS_NS_MMQ_3SITE_LINEAR = ['r2', 'pA', 'dw_AB', 'dwH_AB', 'kex_AB', 'pB', 'dw_BC', 'dwH_BC', 'kex_BC'] 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 # The parameters. PARAMS_R20 = ['r2', 'r2a', 'r2b'] @@ -577,4 +611,43 @@ MODEL_NS_MMQ_2SITE: MODEL_EXP_TYPE_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE: MODEL_EXP_TYPE_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR: MODEL_EXP_TYPE_NS_MMQ_3SITE_LINEAR +} + +# Full list of number of chemical exchange sites. +MODEL_SITES = { + MODEL_R2EFF: MODEL_SITES_R2EFF, + MODEL_NOREX: MODEL_SITES_NOREX, + MODEL_NOREX_R1RHO: MODEL_SITES_NOREX_R1RHO, + MODEL_NOREX_R1RHO_FIT_R1: MODEL_SITES_NOREX_R1RHO_FIT_R1, + MODEL_LM63: MODEL_SITES_LM63, + MODEL_LM63_3SITE: MODEL_SITES_LM63_3SITE, + MODEL_CR72: MODEL_SITES_CR72, + MODEL_CR72_FULL: MODEL_SITES_CR72_FULL, + MODEL_IT99: MODEL_SITES_IT99, + MODEL_TSMFK01: MODEL_SITES_TSMFK01, + MODEL_B14: MODEL_SITES_B14, + MODEL_B14_FULL: MODEL_SITES_B14_FULL, + MODEL_M61: MODEL_SITES_M61, + MODEL_M61B: MODEL_SITES_M61B, + MODEL_DPL94: MODEL_SITES_DPL94, + MODEL_DPL94_FIT_R1: MODEL_SITES_DPL94_FIT_R1, + MODEL_TP02: MODEL_SITES_TP02, + MODEL_TP02_FIT_R1: MODEL_SITES_TP02_FIT_R1, + MODEL_TAP03: MODEL_SITES_TAP03, + MODEL_TAP03_FIT_R1: MODEL_SITES_TAP03_FIT_R1, + MODEL_MP05: MODEL_SITES_MP05, + MODEL_MP05_FIT_R1: MODEL_SITES_MP05_FIT_R1, + MODEL_NS_CPMG_2SITE_3D: MODEL_SITES_NS_CPMG_2SITE_3D, + MODEL_NS_CPMG_2SITE_3D_FULL: MODEL_SITES_NS_CPMG_2SITE_3D_FULL, + MODEL_NS_CPMG_2SITE_STAR: MODEL_SITES_NS_CPMG_2SITE_STAR, + MODEL_NS_CPMG_2SITE_STAR_FULL: MODEL_SITES_NS_CPMG_2SITE_STAR_FULL, + MODEL_NS_CPMG_2SITE_EXPANDED: MODEL_SITES_NS_CPMG_2SITE_EXPANDED, + MODEL_NS_R1RHO_2SITE: MODEL_SITES_NS_R1RHO_2SITE, + MODEL_NS_R1RHO_2SITE_FIT_R1: MODEL_SITES_NS_R1RHO_2SITE_FIT_R1, + MODEL_NS_R1RHO_3SITE: MODEL_SITES_NS_R1RHO_3SITE, + MODEL_NS_R1RHO_3SITE_LINEAR: MODEL_SITES_NS_R1RHO_3SITE_LINEAR, + MODEL_MMQ_CR72: MODEL_SITES_MMQ_CR72, + 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 } 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=24982&r1=24981&r2=24982&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 Mon Aug 11 09:09:28 2014 @@ -20,8 +20,8 @@ ############################################################################### # relax module imports. -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_MMQ_CR72 -from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE, MODEL_PARAMS, MODEL_YEAR +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 test_suite.unit_tests.base_classes import UnitTestCase @@ -57,3 +57,13 @@ # Test the return. self.assertEqual(exp_type_mmq_cr72, 'CPMG: SQ, DQ, MQ, ZQ, 1H SQ, 1H MQ') + + + def test_MODEL_SITES(self): + """Unit test of the MODEL_SITES dictionary.""" + + # Test model chemical sites return from model sites dictionary. + model_sites = MODEL_SITES[MODEL_NS_R1RHO_3SITE] + + # Test the return. + self.assertEqual(model_sites, 3)