I just went with zero as I've seen that before in the literature (I can't remember where, and it's not really important). If you prefer one, could you also change this from zero in the manual? In relax we already use N=1 for the N-state model to specify a single state, so that would be more consistent.
Regards, Edward On 18 August 2014 15:42, Troels Emtekær Linnet <[email protected]> wrote: > 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 <[email protected]>: >> 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, <[email protected]> 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 >>> [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
