r19754 - /branches/relax_disp/auto_analyses/relax_disp.py -- May 28, 2013 - 11:41

Author: bugman
Date: Tue May 28 11:41:25 2013
New Revision: 19754

URL: http://svn.gna.org/viewcvs/relax?rev=19754&view=rev
Log:
The relaxation dispersion auto-analysis now handles the Bootstrapping 
simulations.

The bootstrap_sim_num argument can now be passed into the auto-analysis, and 
the run() method then
executes the relax_disp.r2eff_setup user function.


Modified:
    branches/relax_disp/auto_analyses/relax_disp.py

Modified: branches/relax_disp/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/auto_analyses/relax_disp.py?rev=19754&r1=19753&r2=19754&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Tue May 28 11:41:25 2013
@@ -36,21 +36,23 @@
 
 
 class Relax_disp:
-    def __init__(self, pipe_name=None, pipe_bundle=None, results_dir=None, 
models=[MODEL_R2EFF], grid_inc=11, mc_sim_num=500):
+    def __init__(self, pipe_name=None, pipe_bundle=None, results_dir=None, 
models=[MODEL_R2EFF], grid_inc=11, mc_sim_num=500, bootstrap_sim_num=100000):
         """Perform a full relaxation dispersion analysis for the given list 
of models.
 
-        @keyword pipe_name:     The name of the data pipe containing all of 
the data for the analysis.
-        @type pipe_name:        str
-        @keyword pipe_bundle:   The data pipe bundle to associate all 
spawned data pipes with.
-        @type pipe_bundle:      str
-        @keyword results_dir:   The directory where results files are saved.
-        @type results_dir:      str
-        @keyword models:        The list of relaxation dispersion models to 
optimise.
-        @type models:           list of str
-        @keyword grid_inc:      Number of grid search increments.
-        @type grid_inc:         int
-        @keyword mc_sim_num:    The number of Monte Carlo simulations to be 
used for error analysis at the end of the analysis.
-        @type mc_sim_num:       int
+        @keyword pipe_name:         The name of the data pipe containing all 
of the data for the analysis.
+        @type pipe_name:            str
+        @keyword pipe_bundle:       The data pipe bundle to associate all 
spawned data pipes with.
+        @type pipe_bundle:          str
+        @keyword results_dir:       The directory where results files are 
saved.
+        @type results_dir:          str
+        @keyword models:            The list of relaxation dispersion models 
to optimise.
+        @type models:               list of str
+        @keyword grid_inc:          Number of grid search increments.
+        @type grid_inc:             int
+        @keyword mc_sim_num:        The number of Monte Carlo simulations to 
be used for error analysis at the end of the analysis.
+        @type mc_sim_num:           int
+        @keyword bootstrap_sim_num: The number of Monte Carlo simulations to 
be used for error analysis at the end of the analysis.
+        @type bootstrap_sim_num:    int
         """
 
         # Printout.
@@ -70,6 +72,7 @@
         self.models = models
         self.grid_inc = grid_inc
         self.mc_sim_num = mc_sim_num
+        self.bootstrap_sim_num = bootstrap_sim_num
 
         # No results directory, so default to the current directory.
         if not self.results_dir:
@@ -188,6 +191,10 @@
 
             # Calculate the R2eff values for the fixed relaxation time 
period data types.
             if model == MODEL_R2EFF and cdp.exp_type in FIXED_TIME_EXP:
+                # Set up the simulation number.
+                
self.interpreter.relax_disp.r2eff_setup(sim_num=self.bootstrap_sim_num)
+
+                # Calculate the values.
                 self.interpreter.calc()
 
             # Optimise the model.