r5011 - in /branches/N_state_model: ./ data/mol_res_spin.py -- February 15, 2008 - 11:43

Author: bugman
Date: Fri Feb 15 11:43:11 2008
New Revision: 5011

URL: http://svn.gna.org/viewcvs/relax?rev=5011&view=rev
Log:
Merged revisions 5008-5009 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3

........
  r5008 | bugman | 2008-02-15 11:36:16 +0100 (Fri, 15 Feb 2008) | 3 lines
  
  Added select flags to the molecule and residue container and list data 
structures.
........
  r5009 | bugman | 2008-02-15 11:37:58 +0100 (Fri, 15 Feb 2008) | 3 lines
  
  Converted all the select variables of the mol-res-spin structures to 
booleans.
........

Modified:
    branches/N_state_model/   (props changed)
    branches/N_state_model/data/mol_res_spin.py

Propchange: branches/N_state_model/
------------------------------------------------------------------------------
Binary property 'svnmerge-integrated' - no diff available.

Modified: branches/N_state_model/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/data/mol_res_spin.py?rev=5011&r1=5010&r2=5011&view=diff
==============================================================================
--- branches/N_state_model/data/mol_res_spin.py (original)
+++ branches/N_state_model/data/mol_res_spin.py Fri Feb 15 11:43:11 2008
@@ -38,7 +38,7 @@
 class SpinContainer(Prototype):
     """Class containing all the spin system specific data."""
 
-    def __init__(self, spin_name=None, spin_num=None, select=1):
+    def __init__(self, spin_name=None, spin_num=None, select=True):
         """Set up the default objects of the spin system data container."""
 
         # The spin system name and number.
@@ -98,13 +98,13 @@
         # Residue data.
         text = text + "%-8s%-8s%-8s%-10s" % ("Index", "Number", "Name", 
"Selected") + "\n"
         for i in xrange(len(self)):
-            text = text + "%-8i%-8s%-8s%-10i" % (i, `self[i].num`, 
self[i].name, self[i].select) + "\n"
+            text = text + "%-8i%-8s%-8s%-10s" % (i, `self[i].num`, 
self[i].name, self[i].select) + "\n"
         text = text + "\nThese can be accessed by typing 
'D.mol[i].res[j].spin[k]', where D is the relax data storage object.\n"
 
         return text
 
 
-    def add_item(self, spin_name=None, spin_num=None, select=1):
+    def add_item(self, spin_name=None, spin_num=None, select=True):
         """Function for appending an empty container to the list."""
 
         self.append(SpinContainer(spin_name, spin_num, select))
@@ -117,12 +117,13 @@
 class ResidueContainer(Prototype):
     """Class containing all the residue specific data."""
 
-    def __init__(self, res_name=None, res_num=None):
+    def __init__(self, res_name=None, res_num=None, select=True):
         """Set up the default objects of the residue data container."""
 
         # The residue name and number.
         self.name = res_name
         self.num = res_num
+        self.select = select
 
         # The empty spin system list.
         self.spin = SpinList()
@@ -177,18 +178,18 @@
         text = "Residues.\n\n"
 
         # Residue data.
-        text = text + "%-8s%-8s%-8s" % ("Index", "Number", "Name") + "\n"
+        text = text + "%-8s%-8s%-8s%-10s" % ("Index", "Number", "Name", 
"Selected") + "\n"
         for i in xrange(len(self)):
-            text = text + "%-8i%-8s%-8s" % (i, `self[i].num`, self[i].name) 
+ "\n"
+            text = text + "%-8i%-8s%-8s%-10s" % (i, `self[i].num`, 
self[i].name, self[i].select) + "\n"
         text = text + "\nThese can be accessed by typing 'D.mol[i].res[j]', 
where D is the relax data storage object.\n"
 
         return text
 
 
-    def add_item(self, res_name=None, res_num=None):
+    def add_item(self, res_name=None, res_num=None, select=True):
         """Function for appending an empty container to the list."""
 
-        self.append(ResidueContainer(res_name, res_num))
+        self.append(ResidueContainer(res_name, res_num, select))
 
 
 
@@ -198,11 +199,12 @@
 class MoleculeContainer(Prototype):
     """Class containing all the molecule specific data."""
 
-    def __init__(self, mol_name=None):
+    def __init__(self, mol_name=None, select=True):
         """Set up the default objects of the molecule data container."""
 
         # The name of the molecule, corresponding to that of the structure 
file if specified.
         self.name = mol_name
+        self.select = select
 
         # The empty residue list.
         self.res = ResidueList()
@@ -248,14 +250,14 @@
 
     def __repr__(self):
         text = "Molecules.\n\n"
-        text = text + "%-8s%-8s" % ("Index", "Name") + "\n"
+        text = text + "%-8s%-8s%-10s" % ("Index", "Name", "Selected") + "\n"
         for i in xrange(len(self)):
-            text = text + "%-8i%-8s" % (i, self[i].name) + "\n"
+            text = text + "%-8i%-8s%-10s" % (i, self[i].name, 
self[i].select) + "\n"
         text = text + "\nThese can be accessed by typing 'D.mol[i]', where D 
is the relax data storage object.\n"
         return text
 
 
-    def add_item(self, mol_name=None):
+    def add_item(self, mol_name=None, select=True):
         """Function for appending an empty container to the list."""
 
-        self.append(MoleculeContainer(mol_name))
+        self.append(MoleculeContainer(mol_name, select))