mailr18991 - in /trunk: data/__init__.py generic_fns/selection.py user_functions/pcs.py user_functions/rdc.py


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Posted by edward on March 22, 2013 - 17:08:
Author: bugman
Date: Fri Mar 22 17:08:33 2013
New Revision: 18991

URL: http://svn.gna.org/viewcvs/relax?rev=18991&view=rev
Log:
Next block of the manual merger of the frame_order_testing branch.

The commands used were:
svn merge -r18161:18162 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18162:18163 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18207:18208 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18221:18222 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18222:18223 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18236:18237 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18237:18238 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
svn merge -r18238:18239 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .

The console messages were:
[edau@localhost relax-trunk]$ svn merge -r18161:18162 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18162 into '.':
U    generic_fns/selection.py
[edau@localhost relax-trunk]$ svn merge -r18162:18163 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18163 into '.':
G    generic_fns/selection.py
[edau@localhost relax-trunk]$ svn merge -r18207:18208 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18208 into '.':
U    user_functions/pcs.py
[edau@localhost relax-trunk]$ svn merge -r18221:18222 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18222 into '.':
G    user_functions/pcs.py
[edau@localhost relax-trunk]$ svn merge -r18222:18223 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18223 into '.':
U    user_functions/rdc.py
[edau@localhost relax-trunk]$ svn merge -r18236:18237 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
Conflict discovered in 'specific_fns/n_state_model.py'.
Select: (p) postpone, (df) diff-full, (e) edit,
        (mc) mine-conflict, (tc) theirs-conflict,
        (s) show all options: p
--- Merging r18237 into '.':
C    specific_fns/n_state_model.py
Summary of conflicts:
  Text conflicts: 1
[edau@localhost relax-trunk]$ svn merge -r18237:18238 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
Conflict discovered in 'specific_fns/n_state_model.py'.
Select: (p) postpone, (df) diff-full, (e) edit,
        (mc) mine-conflict, (tc) theirs-conflict,
        (s) show all options: p
--- Merging r18238 into '.':
C    specific_fns/n_state_model.py
Summary of conflicts:
  Text conflicts: 1
[edau@localhost relax-trunk]$ svn merge -r18238:18239 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_testing .
--- Merging r18239 into '.':
U    data/__init__.py
[edau@localhost relax-trunk]$


Modified:
    trunk/data/__init__.py
    trunk/generic_fns/selection.py
    trunk/user_functions/pcs.py
    trunk/user_functions/rdc.py

Modified: trunk/data/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/data/__init__.py?rev=18991&r1=18990&r2=18991&view=diff
==============================================================================
--- trunk/data/__init__.py (original)
+++ trunk/data/__init__.py Fri Mar 22 17:08:33 2013
@@ -282,6 +282,13 @@
                             if hasattr(spin, name):
                                 delattr(spin, name)
 
+            # Convert the alignment tensors.
+            if hasattr(dp, 'align_tensors'):
+                for i in range(len(dp.align_tensors)):
+                    # Fix for the addition of the alignment ID structure as 
opposed to the tensor name or tag.
+                    if not hasattr(dp.align_tensors[i], 'align_id'):
+                        dp.align_tensors[i].set('align_id', 
dp.align_tensors[i].name)
+
 
     def add(self, pipe_name, pipe_type, bundle=None, switch=True):
         """Method for adding a new data pipe container to the dictionary.

Modified: trunk/generic_fns/selection.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/selection.py?rev=18991&r1=18990&r2=18991&view=diff
==============================================================================
--- trunk/generic_fns/selection.py (original)
+++ trunk/generic_fns/selection.py Fri Mar 22 17:08:33 2013
@@ -409,26 +409,11 @@
     for spin, spin_id in spin_loop(return_id=True):
         # Deselect spins outside of the domain.
         if spin_id not in domain and change_all:
-            print "out: %s" % spin_id
             spin.select = False
 
         # Inside the domain.
         if spin_id in domain:
-            if boolean == 'OR':
-                print "OR: %s" % spin_id
-                spin.select = spin.select or True
-            elif boolean == 'NOR':
-                spin.select = not (spin.select or True)
-            elif boolean == 'AND':
-                spin.select = spin.select and True
-            elif boolean == 'NAND':
-                spin.select = not (spin.select and True)
-            elif boolean == 'XOR':
-                spin.select = not (spin.select and True) and (spin.select or 
True)
-            elif boolean == 'XNOR':
-                spin.select = (spin.select and True) or not (spin.select or 
True)
-            else:
-                raise RelaxError("Unknown boolean operator " + repr(boolean))
+            spin.select = boolean_select(current=spin.select, 
boolean=boolean)
 
     # Interatomic data loop.
     for interatom in interatomic_loop():
@@ -438,21 +423,7 @@
 
         # Inside the domain.
         if interatom.spin_id1 in domain or interatom.spin_id2 in domain:
-            if boolean == 'OR':
-                interatom.select = interatom.select or True
-            elif boolean == 'NOR':
-                interatom.select = not (interatom.select or True)
-            elif boolean == 'AND':
-                interatom.select = interatom.select and True
-            elif boolean == 'NAND':
-                interatom.select = not (interatom.select and True)
-            elif boolean == 'XOR':
-                interatom.select = not (interatom.select and True) and 
(interatom.select or True)
-            elif boolean == 'XNOR':
-                interatom.select = (interatom.select and True) or not 
(interatom.select or True)
-            else:
-                raise RelaxError("Unknown boolean operator " + repr(boolean))
-
+            interatom.select = boolean_select(current=interatom.select, 
boolean=boolean)
 
 
 def sel_interatom(spin_id1=None, spin_id2=None, boolean='OR', 
change_all=False):

Modified: trunk/user_functions/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/pcs.py?rev=18991&r1=18990&r2=18991&view=diff
==============================================================================
--- trunk/user_functions/pcs.py (original)
+++ trunk/user_functions/pcs.py Fri Mar 22 17:08:33 2013
@@ -402,7 +402,7 @@
     desc_short = "alignment ID string",
     desc = "The optional alignment ID string.",
     wiz_element_type = 'combo',
-    wiz_combo_iter = align_tensor.get_ids,
+    wiz_combo_iter = align_tensor.get_align_ids,
     wiz_read_only = True,
     can_be_none = True
 )
@@ -442,7 +442,7 @@
     desc_short = "alignment ID string",
     desc = "The optional alignment ID string.",
     wiz_element_type = 'combo',
-    wiz_combo_iter = align_tensor.get_ids,
+    wiz_combo_iter = align_tensor.get_align_ids,
     wiz_read_only = True,
     can_be_none = True
 )

Modified: trunk/user_functions/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/rdc.py?rev=18991&r1=18990&r2=18991&view=diff
==============================================================================
--- trunk/user_functions/rdc.py (original)
+++ trunk/user_functions/rdc.py Fri Mar 22 17:08:33 2013
@@ -396,7 +396,7 @@
     desc_short = "alignment ID string",
     desc = "The optional alignment ID string.",
     wiz_element_type = 'combo',
-    wiz_combo_iter = align_tensor.get_ids,
+    wiz_combo_iter = align_tensor.get_align_ids,
     wiz_read_only = True,
     can_be_none = True
 )




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