r6778 - /1.3/sample_scripts/full_analysis.py -- July 06, 2008 - 02:23

Author: bugman
Date: Sun Jul  6 02:14:36 2008
New Revision: 6778

URL: http://svn.gna.org/viewcvs/relax?rev=6778&view=rev
Log:
The spin ID is now printed in the convergence tests, rather than the spin 
number and name.


Modified:
    1.3/sample_scripts/full_analysis.py

Modified: 1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=6778&r1=6777&r2=6778&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Sun Jul  6 02:14:36 2008
@@ -113,7 +113,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
-from generic_fns.mol_res_spin import spin_index_loop, spin_loop
+from generic_fns.mol_res_spin import generate_spin_id, spin_index_loop, 
spin_loop
 from relax_errors import RelaxError
 
 
@@ -465,6 +465,9 @@
                     if not hasattr(prev_spin, 'params') or not 
hasattr(curr_spin, 'params'):
                         continue
 
+                    # The spin ID string.
+                    spin_id = 
generate_spin_id(mol_name=cdp.mol[mol_index].name, 
res_num=cdp.mol[mol_index].res[res_index].num, 
res_name=cdp.mol[mol_index].res[res_index].name, 
spin_num=cdp.mol[mol_index].res[res_index].spin[spin_index].num, 
spin_name=cdp.mol[mol_index].res[res_index].spin[spin_index].name)
+
                     # Loop over the parameters.
                     for j in xrange(len(curr_spin.params)):
                         # Get the parameter values.
@@ -473,10 +476,7 @@
 
                         # Test if not identical.
                         if prev_val != curr_val:
-                            if curr_spin.name:
-                                print "    Spin system: " + `curr_spin.num` 
+ ' ' + curr_spin.name
-                            else:
-                                print "    Spin system: " + `curr_spin.num`
+                            print "    Spin ID:     " + `spin_id`
                             print "    Parameter:   " + curr_spin.params[j]
                             print "    Value (k-1): " + `prev_val`
                             print "        (as an IEEE-754 byte array: " + 
`floatAsByteArray(prev_val)` + ')'