r22857 - /trunk/user_functions/relax_disp.py -- April 25, 2014 - 17:24

Author: tlinnet
Date: Fri Apr 25 17:24:16 2014
New Revision: 22857

URL: http://svn.gna.org/viewcvs/relax?rev=22857&view=rev
Log:
Added user function: relax_disp.set_grid_r20_from_min_r2eff.

Feature request: #3151, (https://gna.org/support/index.php?3151) - User 
function to set the R20 parameters in the default grid search using the 
minimum R2eff value.

Modified:
    trunk/user_functions/relax_disp.py

Modified: trunk/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/relax_disp.py?rev=22857&r1=22856&r2=22857&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py  (original)
+++ trunk/user_functions/relax_disp.py  Fri Apr 25 17:24:16 2014
@@ -38,7 +38,7 @@
 from pipe_control.mol_res_spin import get_spin_ids
 from specific_analyses.relax_disp.catia import catia_execute, catia_input
 from specific_analyses.relax_disp.cpmgfit import cpmgfit_execute, 
cpmgfit_input
-from specific_analyses.relax_disp.data import cpmg_frq, insignificance, 
plot_disp_curves, plot_exp_curves, r2eff_read, r2eff_read_spin, relax_time, 
set_exp_type, spin_lock_field, spin_lock_offset, write_disp_curves
+from specific_analyses.relax_disp.data import cpmg_frq, insignificance, 
plot_disp_curves, plot_exp_curves, r2eff_read, r2eff_read_spin, relax_time, 
set_exp_type, set_grid_r20_from_min_r2eff, spin_lock_field, spin_lock_offset, 
write_disp_curves
 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
@@ -908,6 +908,27 @@
 uf.wizard_image = ANALYSIS_IMAGE_PATH + 'relax_disp_200x200.png'
 
 
+# The relax_disp.set_grid_r20_from_min_r2eff user function.
+uf = uf_info.add_uf('relax_disp.set_grid_r20_from_min_r2eff')
+uf.title = "Set the initial guess for R20 in the grid search, to that of the 
minimum R2eff points."
+uf.title_short = "Speed-up grid search."
+uf.add_keyarg(
+    name = "force",
+    default = True,
+    py_type = "bool",
+    desc_short = "force flag",
+    desc = "A flag which if set to True will cause the R20 Values to be 
overwritten if they already exist."
+)
+# Description.
+uf.desc.append(Desc_container())
+uf.desc[-1].add_paragraph("Instead of making the grid search find initial 
values of the R20 parameter, the minimum for the R2eff points are used 
instead. For a 2 field cpmg experiment with model CR72, that would drop the 
number of uniform grid search points from gridNr^5 to gridNr^3. For standard 
21 grid Nr, it would make the grid search 441 times faster.")
+uf.backend = set_grid_r20_from_min_r2eff
+uf.menu_text = "&set_grid_r20_from_min_r2eff"
+uf.gui_icon = "relax.grid_search"
+uf.wizard_size = (800, 500)
+uf.wizard_apply_button = False
+
+
 # The relax_disp.sherekhan_input user function.
 uf = uf_info.add_uf('relax_disp.sherekhan_input')
 uf.title = "Create the input files for Adam Mazur's ShereKhan program."