mailr11159 - in /1.3/generic_fns: pcs.py rdc.py


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Posted by edward on April 27, 2010 - 18:51:
Author: bugman
Date: Tue Apr 27 18:51:21 2010
New Revision: 11159

URL: http://svn.gna.org/viewcvs/relax?rev=11159&view=rev
Log:
Modified the RDC and PCS read() function to not add align_id to the cdp 
structures if no data is present.


Modified:
    1.3/generic_fns/pcs.py
    1.3/generic_fns/rdc.py

Modified: 1.3/generic_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pcs.py?rev=11159&r1=11158&r2=11159&view=diff
==============================================================================
--- 1.3/generic_fns/pcs.py (original)
+++ 1.3/generic_fns/pcs.py Tue Apr 27 18:51:21 2010
@@ -253,7 +253,9 @@
     #####################
 
     # Loop over the PCS data.
-    print(("\n%-50s %-15s %-15s" % ("spin_id", "value", "error")))
+    spin_ids = []
+    values = []
+    errors = []
     for data in read_spin_data(file=file, dir=dir, file_data=file_data, 
spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col, 
res_name_col=res_name_col, spin_num_col=spin_num_col, 
spin_name_col=spin_name_col, data_col=data_col, error_col=error_col, sep=sep, 
spin_id=spin_id):
         # Unpack.
         if data_col and error_col:
@@ -292,12 +294,21 @@
             # Append the error.
             spin.pcs_err[align_id] = error
 
-        # Print out.
-        print(("%-50s %15s %15s" % (id, value, error)))
+        # Append the data for print out.
+        spin_ids.append(id)
+        values.append(value)
+        errors.append(error)
+
+    # Print out.
+    write_spin_data(file=sys.stdout, spin_ids=spin_ids, data=values, 
data_name='RDCs', error=errors, error_name='RDC_error')
 
 
     # Global (non-spin specific) data.
     ##################################
+
+    # No data, so return.
+    if not len(values):
+        return
 
     # Initialise.
     if not hasattr(cdp, 'align_ids'):

Modified: 1.3/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/rdc.py?rev=11159&r1=11158&r2=11159&view=diff
==============================================================================
--- 1.3/generic_fns/rdc.py (original)
+++ 1.3/generic_fns/rdc.py Tue Apr 27 18:51:21 2010
@@ -303,6 +303,10 @@
     # Global (non-spin specific) data.
     ##################################
 
+    # No data, so return.
+    if not len(values):
+        return
+
     # Initialise.
     if not hasattr(cdp, 'align_ids'):
         cdp.align_ids = []




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