Re: r20630 - /branches/relax_disp/user_functions/relax_disp.py -- August 30, 2013 - 18:44

Hi Edward.

Yes, I will change it.

I guess by date, you mean the paper year date, and not relax development date. :-)

Best

Troels

Troels Emtekær Linnet

2013/8/30 Edward d'Auvergne <edward@xxxxxxxxxxxxx>

Hi Troels,

Looking back at this commit, I've noticed that the position of the
TSMFK01 model should be changed.  These models are ordered by date
(excluding the 'R2eff' and 'No Rex' models).  Could you shift this
model to the end of the list in all positions?  Make sure you have
commit r20722 in your repository, as otherwise the commit may not
work.

Cheers,

Edward

On 18 August 2013 20:22,  <edward@xxxxxxxxxxxxx> wrote:
> Author: bugman
> Date: Sun Aug 18 20:22:45 2013
> New Revision: 20630
>
> URL: http://svn.gna.org/viewcvs/relax?rev=20630&view=rev
> Log:
> Added the TSMFK01 model to the user_functions/relax_disp.py select_model user function frontend.
>
> Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
> Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax
>
> Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com
>
> Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
>
> Modified:
>     branches/relax_disp/user_functions/relax_disp.py
>
> Modified: branches/relax_disp/user_functions/relax_disp.py
> URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=20630&r1=20629&r2=20630&view=diff
> ==============================================================================
> --- branches/relax_disp/user_functions/relax_disp.py (original)
> +++ branches/relax_disp/user_functions/relax_disp.py Sun Aug 18 20:22:45 2013
> @@ -40,7 +40,7 @@
>  from specific_analyses.relax_disp.nessy import nessy_input
>  from specific_analyses.relax_disp.parameters import copy
>  from specific_analyses.relax_disp.sherekhan import sherekhan_input
> -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_EXPANDED, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_TP02
> +from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_TSMFK01, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_EXPANDED, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_TP02
>  from specific_analyses.setup import relax_disp_obj
>  from user_functions.data import Uf_info; uf_info = Uf_info()
>  from user_functions.objects import Desc_container
> @@ -477,6 +477,7 @@
>          "%s: {R2eff/R1rho, I0}" % MODEL_R2EFF,
>          "%s: {R20, ...}" % MODEL_NOREX,
>          "%s: {R20, ..., phi_ex, kex}" % MODEL_LM63,
> +        "%s: {R20A, ..., dw, kA}" % MODEL_TSMFK01,
>          "%s: {R20, ..., phi_ex, kex, phi_ex2, kex2}" % MODEL_LM63_3SITE,
>          "%s: {R20, ..., pA, dw, kex}" % MODEL_CR72,
>          "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_CR72_FULL,
> @@ -495,6 +496,7 @@
>          MODEL_R2EFF,
>          MODEL_NOREX,
>          MODEL_LM63,
> +        MODEL_TSMFK01,
>          MODEL_LM63_3SITE,
>          MODEL_CR72,
>          MODEL_CR72_FULL,
> @@ -520,6 +522,7 @@
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_R2EFF, "This is the model used to determine the R2eff values and errors required as the base data for all other models,")
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX, "This is the model for no chemical exchange being present,")
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63, "The original Luz and Meiboom (1963) 2-site fast exchange equation with parameters {R20, ..., phi_ex, kex},")
> +uf.desc[-1].add_item_list_element("'%s'" % MODEL_TSMFK01, "The Tollinger, Kay et al. (2001) 2-site very-slow exchange model, range of microsecond to second time scale.  Applicable in the limit of slow exchange, when |R20A-R20B| << kA,kB << 1/tau_CP.  R20A is the transverse relaxation rate of site A in the absence of exchange.  2*tau_CP is is the time between successive 180 deg. pulses.  The parameters are {R20A, ..., dw, kA}.")
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63_3SITE, "The original Luz and Meiboom (1963) 3-site fast exchange equation with parameters {R20, ..., phi_ex, kex, phi_ex2, kex2},")
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72, "The reduced Carver and Richards (1972) 2-site equation for all time scales whereby the simplification R20A = R20B is assumed.  The parameters are {R20, ..., pA, dw, kex}.")
>  uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72_FULL, "The full Carver and Richards (1972) 2-site equation for all time scales with parameters {R20A, R20B, ..., pA, dw, kex}.")
>
>
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