r23138 - /trunk/pipe_control/opendx.py -- May 09, 2014 - 18:57

Author: tlinnet
Date: Fri May  9 18:57:35 2014
New Revision: 23138

URL: http://svn.gna.org/viewcvs/relax?rev=23138&view=rev
Log:
Added the chi_surface=None to the backend function.

When None, it will try to find reasonale chi2 values.
These will define surface levels for the Innermost, Inner, Middle and Outer 
Isosurface.

task #7792: (https://gna.org/task/?7792) Make the dx.map write suggest chi 
surface values.

Modified:
    trunk/pipe_control/opendx.py

Modified: trunk/pipe_control/opendx.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/opendx.py?rev=23138&r1=23137&r2=23138&view=diff
==============================================================================
--- trunk/pipe_control/opendx.py        (original)
+++ trunk/pipe_control/opendx.py        Fri May  9 18:57:35 2014
@@ -34,8 +34,7 @@
 from pipe_control import value
 from specific_analyses.api import return_api
 
-
-def map(params=None, map_type='Iso3D', spin_id=None, inc=20, lower=None, 
upper=None, axis_incs=10, file_prefix="map", dir="dx", point=None, 
point_file="point"):
+def map(params=None, map_type='Iso3D', spin_id=None, inc=20, lower=None, 
upper=None, axis_incs=10, file_prefix="map", dir="dx", point=None, 
point_file="point", chi_surface=None):
     """Map the space corresponding to the spin identifier and create the 
OpenDX files.
 
     @keyword params:        
@@ -81,7 +80,7 @@
             raise RelaxError("The 3D isosurface map requires a 3 parameter 
model.")
 
         # Create the map.
-        Map(params, spin_id, inc, lower, upper, axis_incs, file_prefix, dir, 
point, point_file)
+        Map(params, spin_id, inc, lower, upper, axis_incs, file_prefix, dir, 
point, point_file, chi_surface)
     else:
         raise RelaxError("The map type '" + map_type + "' is not supported.")
 
@@ -90,7 +89,7 @@
 class Map:
     """The space mapping base class."""
 
-    def __init__(self, params, spin_id, inc, lower, upper, axis_incs, 
file_prefix, dir, point, point_file):
+    def __init__(self, params, spin_id, inc, lower, upper, axis_incs, 
file_prefix, dir, point, point_file, chi_surface):
         """Map the space upon class instantiation."""
 
         # Initialise.