Hi Ed. I does not really matter, and we can change it.
I first implemented it as 0. But then again. One could also say one chemical site. Best Troels 2014-08-18 15:23 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>: > Hi, > > The No Rex model should have zero sites. See table 11.1 in the manual > where the site number is already listed > (http://www.nmr-relax.com/manual/Dispersion_model_summary.html). > > Regards, > > Edward > > > > On 11 August 2014 09:09, <tlin...@nmr-relax.com> wrote: >> 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) >> >> >> _______________________________________________ >> relax (http://www.nmr-relax.com) >> >> This is the relax-commits mailing list >> relax-comm...@gna.org >> >> 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 > relax-devel@gna.org > > 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 relax-devel@gna.org 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
