Hi Edward. You will soon see my commits about sorting the models.
And here we would probably have to discuss a little. There is a huge time potential to nest parameters from earlier models. And so by common sense, it would/could be best to nest from numerical solutions, since they are more precise. But they are terrible slow. Unless they are these special hybrid version. The word "silico", I took from: A.J. Baldwin (2014). An exact solution for R2,eff in CPMG experiments in the case of two site chemical exchange. J. Magn. Reson., 2014. (10.1016/j.jmr.2014.02.023). I think it is a very good representation. "Silico" is "fast", and precise. But "impossible" to read and understand from the code. I think that "silico" is a good way to represent a "subset" of numerical solutions. I would rather describe a model as being "silico", than to add meta data about "how fast" it is. Best Troels 2014-08-18 15:28 GMT+02:00 Edward d'Auvergne <[email protected]>: > Hi Troels, > > What is a 'silico' dispersion solution? I am aware of closed > solutions, partial analytic solutions, and numeric solutions, as > already listed in table 11.1 of the manual > (http://www.nmr-relax.com/manual/Dispersion_model_summary.html). As > far as I am aware, the 'NS CPMG 2-site expanded' model is a numeric > solution. But it is just brute force expanded to avoid evolution > matrices and make the solution hugely faster. > > Cheers, > > Edward > > On 12 August 2014 10:54, <[email protected]> wrote: >> 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') >> >> >> _______________________________________________ >> relax (http://www.nmr-relax.com) >> >> This is the relax-commits mailing list >> [email protected] >> >> To unsubscribe from this list, get a password >> reminder, or change your subscription options, >> visit the list information page at >> https://mail.gna.org/listinfo/relax-commits > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
