Re: r24983 - in /branches/R1_fitting: specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_relax_disp/ -- August 18, 2014 - 18:11

Hi Troels,

I will continue from your last post in the triplet thread at
http://thread.gmane.org/gmane.science.nmr.relax.scm/22737.  I have
copied and pasted your message below:

On 18 August 2014 17:17, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
> I will remove the nesting of IT99, since it also worried me.

I would also suggest removing TSMFK01, TAP03, M61, M61 skew, and DPL94.


> But do you really intent to stay on the argument that nesting should
> always be from CR72?

No, we need a 3rd solution for this.


> What if the model pipe for B14 is available.
> Or from NS CPMG 2-site expanded ?

We could, for example, have a list of nested models.  For example for
the NS CPMG 2-site expanded model, the list would be [MODEL_B41,
MODEL_CR72].  It used B14 first, but switches to CR72 if B14 is not
available.  This is easy to hardcode in a dictionary (or special
Python dictionary object) and hardcode into a table in the manual.

For all of the numeric CPMG models, which should be optimised after
the analytic models in all cases so that model nesting can be useful
for speed, I would suggest using B14 and then CR72.  But if you have
fast exchange, then the LM63 model is far better for these models than
B14 or CR72, however the parameters are not nested.  There are
infinite parameter combinations of the numeric models which give the
same parameter values as LM63.

For the R1rho models, a similar logic would be used.  MP05 replaces
B14, and TP02 replaces CR72.  The BK13 model will also need to be
considered in the future (https://gna.org/support/?3155).  DPL94
replaces LM63 for the fast vs. slow exchange problem, but then you
also have the infinite parameter combination problem.

Note that the infinite parameter combination problem is actually a
major issue affecting the optimisation of all numeric models when the
exchange is fast, but that no one talks about this!


> Is this issue rather related how to sort the models first?

This is an important issue which requires knowledge of the nesting, as
I mentioned previously.  Our understanding of the models themselves
and our logic based on experiment is far more useful for determining
model nesting and the order in which they should be optimised.  This
is why a hardcoded solution is very powerful.

Regards,

Edward



On 12 August 2014 10:54,  <tlinnet@xxxxxxxxxxxxx> 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')
>
>
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