Author: bugman
Date: Tue Jul 16 14:43:01 2013
New Revision: 20332
URL: http://svn.gna.org/viewcvs/relax?rev=20332&view=rev
Log:
Added the 'NS 2-site' model to the specific_analyses.relax_disp.variables
module.
This is the model of the numerical solution for the 2-site Bloch-McConnell
equations. It originates
as optimization function number 1 from the fitting_main_kex.py script from
Mathilde Lescanne, Paul
Schanda, and Dominique Marion (see
http://thread.gmane.org/gmane.science.nmr.relax.devel/4138,
https://gna.org/task/?7712#comment2 and
https://gna.org/support/download.php?file_id=18262).
This commit follows step 1 of the relaxation dispersion model addition
tutorial
(http://thread.gmane.org/gmane.science.nmr.relax.devel/3907).
Modified:
branches/relax_disp/specific_analyses/relax_disp/variables.py
Modified: branches/relax_disp/specific_analyses/relax_disp/variables.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/variables.py?rev=20332&r1=20331&r2=20332&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/variables.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/variables.py Tue Jul 16
14:43:01 2013
@@ -67,6 +67,9 @@
# The Numerical model names.
+MODEL_NS_2SITE = 'NS 2-site'
+"""The numerical solution for the 2-site Bloch-McConnell equations."""
+
MODEL_NS_2SITE_STAR_RED = 'NS 2-site star red'
"""The numerical solution for the 2-site Bloch-McConnell equations using
complex conjugate matrices, whereby the simplification R20A = R20B is
assumed."""
@@ -75,16 +78,16 @@
# The model lists.
-MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED, MODEL_CR72,
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE_STAR_RED,
MODEL_NS_2SITE_STAR]
+MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED, MODEL_CR72,
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE,
MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
"""The list of all dispersion models (excluding the R2eff model)."""
-MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED,
MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B,
MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
+MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED,
MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE,
MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
"""The list of the R2eff model together with all dispersion models."""
-MODEL_LIST_CPMG = [MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED, MODEL_CR72,
MODEL_IT99, MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
+MODEL_LIST_CPMG = [MODEL_NOREX, MODEL_LM63, MODEL_CR72_RED, MODEL_CR72,
MODEL_IT99, MODEL_NS_2SITE, MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
"""The list of all dispersion models specifically for CPMG-type experiments
(excluding the R2eff model)."""
-MODEL_LIST_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63,
MODEL_CR72_RED, MODEL_CR72, MODEL_IT99, MODEL_NS_2SITE_STAR_RED,
MODEL_NS_2SITE_STAR]
+MODEL_LIST_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63,
MODEL_CR72_RED, MODEL_CR72, MODEL_IT99, MODEL_NS_2SITE,
MODEL_NS_2SITE_STAR_RED, MODEL_NS_2SITE_STAR]
"""The list of the R2eff model together with all dispersion models
specifically for CPMG-type experiments."""
MODEL_LIST_R1RHO = [MODEL_NOREX, MODEL_M61, MODEL_DPL94, MODEL_M61B]
r20332 - /branches/relax_disp/specific_analyses/relax_disp/variables.py