mailr10820 - /1.3/auto_analyses/stereochem_analysis.py


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Posted by edward on February 22, 2010 - 16:20:
Author: bugman
Date: Mon Feb 22 16:20:45 2010
New Revision: 10820

URL: http://svn.gna.org/viewcvs/relax?rev=10820&view=rev
Log:
The noe_norm arg is now accepted by the Stereochem_analysis class.


Modified:
    1.3/auto_analyses/stereochem_analysis.py

Modified: 1.3/auto_analyses/stereochem_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/auto_analyses/stereochem_analysis.py?rev=10820&r1=10819&r2=10820&view=diff
==============================================================================
--- 1.3/auto_analyses/stereochem_analysis.py (original)
+++ 1.3/auto_analyses/stereochem_analysis.py Mon Feb 22 16:20:45 2010
@@ -66,7 +66,7 @@
 class Stereochem_analysis:
     """Class for performing the relative stereochemistry analysis."""
 
-    def __init__(self, stage=1, results_dir=None, num_ens=10000, 
num_models=10, configs=None, snapshot_dir='snapshots', snapshot_min=None, 
snapshot_max=None, pseudo=None, noe_file=None, rdc_name=None, rdc_file=None, 
rdc_spin_id_col=None, rdc_mol_name_col=None, rdc_res_num_col=None, 
rdc_res_name_col=None, rdc_spin_num_col=None, rdc_spin_name_col=None, 
rdc_data_col=None, rdc_error_col=None, bond_length=None, log=None, 
bucket_num=200, lower_lim_noe=0.0, upper_lim_noe=600.0, lower_lim_rdc=0.0, 
upper_lim_rdc=1.0):
+    def __init__(self, stage=1, results_dir=None, num_ens=10000, 
num_models=10, configs=None, snapshot_dir='snapshots', snapshot_min=None, 
snapshot_max=None, pseudo=None, noe_file=None, noe_norm=None, rdc_name=None, 
rdc_file=None, rdc_spin_id_col=None, rdc_mol_name_col=None, 
rdc_res_num_col=None, rdc_res_name_col=None, rdc_spin_num_col=None, 
rdc_spin_name_col=None, rdc_data_col=None, rdc_error_col=None, 
bond_length=None, log=None, bucket_num=200, lower_lim_noe=0.0, 
upper_lim_noe=600.0, lower_lim_rdc=0.0, upper_lim_rdc=1.0):
         """Set up the analysis."""
 
         # Store all the args.
@@ -80,6 +80,7 @@
         self.snapshot_max=snapshot_max
         self.pseudo=pseudo
         self.noe_file=noe_file
+        self.noe_norm=noe_norm
         self.rdc_name=rdc_name
         self.rdc_file=rdc_file
         self.rdc_spin_id_col=rdc_spin_id_col




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