r17662 - /trunk/auto_analyses/stereochem_analysis.py -- October 02, 2012 - 14:16

Author: bugman
Date: Tue Oct  2 14:16:02 2012
New Revision: 17662

URL: http://svn.gna.org/viewcvs/relax?rev=17662&view=rev
Log:
Python 3 fixes - the character '\' is now properly escaped as '\\' in the 
stereochemistry auto-analysis.


Modified:
    trunk/auto_analyses/stereochem_analysis.py

Modified: trunk/auto_analyses/stereochem_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/stereochem_analysis.py?rev=17662&r1=17661&r2=17662&view=diff
==============================================================================
--- trunk/auto_analyses/stereochem_analysis.py (original)
+++ trunk/auto_analyses/stereochem_analysis.py Tue Oct  2 14:16:02 2012
@@ -414,8 +414,8 @@
                 dist.append(self.generate_distribution(noe_viols, 
inc=self.bucket_num, upper=self.upper_lim_noe, lower=self.lower_lim_noe))
 
             # Headers.
-            write_xy_header(file=grace_curve, title='NOE violation 
comparison', subtitle=subtitle, sets=n, set_names=self.configs, 
set_colours=colours, symbols=[0]*n, axis_labels=['Ensemble (sorted)', 'NOE 
violation (Angstrom\S2\N)'], axis_min=[0, 0], axis_max=[self.num_ens, 200], 
legend_pos=[0.3, 0.8])
-            write_xy_header(file=grace_dist, title='NOE violation 
comparison', subtitle=subtitle, sets=n, set_names=self.configs, 
set_colours=colours, symbols=[1]*n, symbol_sizes=[0.5]*n, linestyle=[3]*n, 
axis_labels=['NOE violation (Angstrom\S2\N)', 'Frequency'], axis_min=[0, 0], 
axis_max=[200, 0.2], legend_pos=[1.1, 0.8])
+            write_xy_header(file=grace_curve, title='NOE violation 
comparison', subtitle=subtitle, sets=n, set_names=self.configs, 
set_colours=colours, symbols=[0]*n, axis_labels=['Ensemble (sorted)', 'NOE 
violation (Angstrom\\S2\\N)'], axis_min=[0, 0], axis_max=[self.num_ens, 200], 
legend_pos=[0.3, 0.8])
+            write_xy_header(file=grace_dist, title='NOE violation 
comparison', subtitle=subtitle, sets=n, set_names=self.configs, 
set_colours=colours, symbols=[1]*n, symbol_sizes=[0.5]*n, linestyle=[3]*n, 
axis_labels=['NOE violation (Angstrom\\S2\\N)', 'Frequency'], axis_min=[0, 
0], axis_max=[200, 0.2], legend_pos=[1.1, 0.8])
 
             # Write the data.
             write_xy_data([data], file=grace_curve, graph_type='xy')
@@ -509,7 +509,7 @@
                     data_scaled[i].append([sqrt(noe_viol/self.noe_norm), 
q_factor])
 
             # Write the data.
-            write_xy_header(file=grace_file, title='Correlation plot - %s 
RDC vs. NOE' % self.rdc_name, subtitle=subtitle, sets=n, 
set_names=self.configs, set_colours=colours, symbols=[9]*n, 
symbol_sizes=[0.24]*n, linetype=[0]*n, axis_labels=['NOE violation 
(Angstrom\S2\N)', '%s RDC Q-factor (pales format)' % self.rdc_name], 
axis_min=[0, 0], axis_max=[noe_viols[-1]+10, values[-1]+0.1], 
legend_pos=[1.1, 0.8])
+            write_xy_header(file=grace_file, title='Correlation plot - %s 
RDC vs. NOE' % self.rdc_name, subtitle=subtitle, sets=n, 
set_names=self.configs, set_colours=colours, symbols=[9]*n, 
symbol_sizes=[0.24]*n, linetype=[0]*n, axis_labels=['NOE violation 
(Angstrom\\S2\\N)', '%s RDC Q-factor (pales format)' % self.rdc_name], 
axis_min=[0, 0], axis_max=[noe_viols[-1]+10, values[-1]+0.1], 
legend_pos=[1.1, 0.8])
             write_xy_header(file=grace_file_scaled, title='Correlation plot 
- %s RDC vs. NOE Q-factor' % self.rdc_name, subtitle=subtitle, sets=n, 
set_names=self.configs, set_colours=colours, symbols=[9]*n, 
symbol_sizes=[0.24]*n, linetype=[0]*n, axis_labels=['Normalised NOE violation 
(Q = sqrt(U / \\xS\\f{}NOE\\si\\N\\S2\\N))', '%s RDC Q-factor (pales format)' 
% self.rdc_name], axis_min=[0, 0], axis_max=[1, 1], legend_pos=[1.1, 0.8])
             write_xy_data([data], file=grace_file, graph_type='xy')
             write_xy_data([data_scaled], file=grace_file_scaled, 
graph_type='xy')