r6235 - /1.3/generic_fns/selection.py -- May 22, 2008 - 12:20

Author: bugman
Date: Thu May 22 12:20:23 2008
New Revision: 6235

URL: http://svn.gna.org/viewcvs/relax?rev=6235&view=rev
Log:
Fixed the sel_spin() function.


Modified:
    1.3/generic_fns/selection.py

Modified: 1.3/generic_fns/selection.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/selection.py?rev=6235&r1=6234&r2=6235&view=diff
==============================================================================
--- 1.3/generic_fns/selection.py (original)
+++ 1.3/generic_fns/selection.py Thu May 22 12:20:23 2008
@@ -313,9 +313,12 @@
     @type spin_id:                  str or None
     @param boolean:                 The boolean operator used to select the 
spin systems with.  It
                                     can be one of 'OR', 'NOR', 'AND', 
'NAND', 'XOR', or 'XNOR'.
+                                    This will be ignored if the change_all 
flag is set.
     @type boolean:                  str
     @keyword change_all:            A flag which if True will cause all 
spins not specified in the
-                                    file to be selected.
+                                    file to be deselected.  Only the boolean 
operator 'OR' is
+                                    compatible with this flag set to True 
(all others will be
+                                    ignored).
     @type change_all:               bool
     """
 
@@ -327,54 +330,31 @@
     if not exists_mol_res_spin_data():
         raise RelaxNoSequenceError
 
-    # Loop over the runs.
-    no_match = 1
-    for self.run in self.runs:
-        # Test if the run exists.
-        if not self.run in relax_data_store.run_names:
-            raise RelaxNoPipeError, self.run
-
-        # Test if sequence data is loaded.
-        if not len(relax_data_store.res[self.run]):
-            raise RelaxNoSequenceError, self.run
-
-        # Loop over the sequence.
-        for i in xrange(len(relax_data_store.res[self.run])):
-            # Remap the data structure 'relax_data_store.res[self.run][i]'.
-            data = relax_data_store.res[self.run][i]
-
-            # Initialise the new selection flag.
-            new_select = 0
-
-            # Set the new selection flag if the residue matches 'num'.
-            if type(num) == int:
-                if data.num == num:
-                    new_select = 1
-            elif type(num) == str:
-                if match(num, `data.num`):
-                    new_select = 1
-
-            # Set the new selection flag if the residue matches 'name'.
-            if name != None:
-                if match(name, data.name):
-                    new_select = 1
-
-            # Select just the specified residues.
-            if change_all:
-                data.select = new_select
-
-            # Boolean selections.
+    # First deselect all spins if the change_all flag is set.
+    if change_all:
+        # Loop over all spins.
+        for spin in spin_loop():
+            spin.select = False
+
+    # Loop over the specified spins.
+    for spin in spin_loop(spin_id):
+        # Select just the specified residues.
+        if change_all:
+            spin.select = True
+
+        # Boolean selections.
+        else:
             if boolean == 'OR':
-                data.select = data.select or new_select
+                spin.select = spin.select or True
             elif boolean == 'NOR':
-                data.select = not (data.select or new_select)
+                spin.select = not (spin.select or True)
             elif boolean == 'AND':
-                data.select = data.select and new_select
+                spin.select = spin.select and True
             elif boolean == 'NAND':
-                data.select = not (data.select and new_select)
+                spin.select = not (spin.select and True)
             elif boolean == 'XOR':
-                data.select = not (data.select and new_select) and 
(data.select or new_select)
+                spin.select = not (spin.select and True) and (spin.select or 
True)
             elif boolean == 'XNOR':
-                data.select = (data.select and new_select) or not 
(data.select or new_select)
+                spin.select = (spin.select and True) or not (spin.select or 
True)
             else:
                 raise RelaxError, "Unknown boolean operator " + `boolean`