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}.")
r20630 - /branches/relax_disp/user_functions/relax_disp.py