r14331 - /1.3/specific_fns/model_free/molmol.py -- August 11, 2011 - 08:49

Author: bugman
Date: Thu Aug 11 08:49:24 2011
New Revision: 14331

URL: http://svn.gna.org/viewcvs/relax?rev=14331&view=rev
Log:
Bug fix for the spin_loop() calls when generating Molmol macros.

The full_info argument should have been set to True.


Modified:
    1.3/specific_fns/model_free/molmol.py

Modified: 1.3/specific_fns/model_free/molmol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/molmol.py?rev=14331&r1=14330&r2=14331&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/molmol.py (original)
+++ 1.3/specific_fns/model_free/molmol.py Thu Aug 11 08:49:24 2011
@@ -137,7 +137,7 @@
         num = 0
 
         # Loop over the spins.
-        for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+        for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
             # More than one spin.
             if prev_res_num == res_num:
                 raise RelaxError("Only a single spin per residue is allowed 
for the classic Molmol macro style.")
@@ -157,7 +157,7 @@
 
         if data_type == 'S2':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -175,7 +175,7 @@
 
         elif data_type == 'S2f':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -194,7 +194,7 @@
 
         elif data_type == 'S2s':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -213,7 +213,7 @@
 
         elif data_type == 'amp_fast':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -250,7 +250,7 @@
 
         elif data_type == 'amp_slow':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -278,7 +278,7 @@
 
         elif data_type == 'te':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -296,7 +296,7 @@
 
         elif data_type == 'tf':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -314,7 +314,7 @@
 
         elif data_type == 'ts':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spins.select:
                     continue
@@ -338,7 +338,7 @@
 
         elif data_type == 'time_fast':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -368,7 +368,7 @@
 
         elif data_type == 'time_slow':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -403,7 +403,7 @@
 
         elif data_type == 'Rex':
             # Loop over the spins.
-            for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+            for spin, mol_name, res_num, res_name in spin_loop(spin_id, 
full_info=True):
                 # Skip deselected spins.
                 if not spin.select:
                     continue