r6378 - /1.3/data/mol_res_spin.py -- June 22, 2008 - 03:44

Author: bugman
Date: Sun Jun 22 03:44:59 2008
New Revision: 6378

URL: http://svn.gna.org/viewcvs/relax?rev=6378&view=rev
Log:
Removal of the molecule and residue selection flags.

Only the spin selection flags are used.


Modified:
    1.3/data/mol_res_spin.py

Modified: 1.3/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/mol_res_spin.py?rev=6378&r1=6377&r2=6378&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Sun Jun 22 03:44:59 2008
@@ -188,13 +188,12 @@
 class ResidueContainer(Prototype):
     """Class containing all the residue specific data."""
 
-    def __init__(self, res_name=None, res_num=None, select=True):
+    def __init__(self, res_name=None, res_num=None):
         """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()
@@ -248,7 +247,7 @@
         # An object has been added to the container.
         for name in dir(self):
             # Skip the objects initialised in __init__().
-            if name == 'num' or name == 'name' or name == 'select' or name 
== 'spin':
+            if name == 'num' or name == 'name' or name == 'spin':
                 continue
 
             # Skip the ResidueContainer methods.
@@ -291,22 +290,21 @@
         text = "Residues.\n\n"
 
         # Residue data.
-        text = text + "%-8s%-8s%-8s%-10s" % ("Index", "Number", "Name", 
"Selected") + "\n"
+        text = text + "%-8s%-8s%-8s" % ("Index", "Number", "Name") + "\n"
         for i in xrange(len(self)):
-            text = text + "%-8i%-8s%-8s%-10s" % (i, `self[i].num`, 
self[i].name, self[i].select) + "\n"
+            text = text + "%-8i%-8s%-8s" % (i, `self[i].num`, self[i].name) 
+ "\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, select=True):
+    def add_item(self, res_name=None, res_num=None):
         """Append an empty ResidueContainer to the ResidueList."""
 
         # If no residue data exists, replace the empty first residue with 
this residue.
         if self.is_empty():
             self[0].num = res_num
             self[0].name = res_name
-            self[0].select = select
 
         # Otherwise append a new ResidueContainer.
         else:
@@ -323,7 +321,7 @@
                         raise RelaxError, "The unnumbered residue name '" + 
`res_name` + "' already exists."
 
             # Append a new ResidueContainer.
-            self.append(ResidueContainer(res_name, res_num, select))
+            self.append(ResidueContainer(res_name, res_num))
 
 
     def is_empty(self):
@@ -349,12 +347,11 @@
 class MoleculeContainer(Prototype):
     """Class containing all the molecule specific data."""
 
-    def __init__(self, mol_name=None, select=True):
+    def __init__(self, mol_name=None):
         """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()
@@ -408,7 +405,7 @@
         # An object has been added to the container.
         for name in dir(self):
             # Skip the objects initialised in __init__().
-            if name == 'name' or name == 'select' or name == 'res':
+            if name == 'name' or name == 'res':
                 continue
 
             # Skip the MoleculeContainer methods.
@@ -448,20 +445,19 @@
         """
 
         text = "Molecules.\n\n"
-        text = text + "%-8s%-8s%-10s" % ("Index", "Name", "Selected") + "\n"
+        text = text + "%-8s%-8s" % ("Index", "Name") + "\n"
         for i in xrange(len(self)):
-            text = text + "%-8i%-8s%-10s" % (i, self[i].name, 
self[i].select) + "\n"
+            text = text + "%-8i%-8s" % (i, self[i].name) + "\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, select=True):
+    def add_item(self, mol_name=None):
         """Append an empty MoleculeContainer to the MoleculeList."""
 
         # If no molecule data exists, replace the empty first molecule with 
this molecule (just a renaming).
         if self.is_empty():
             self[0].name = mol_name
-            self[0].select = select
 
         # Otherwise append an empty MoleculeContainer.
         else:
@@ -471,7 +467,7 @@
                     raise RelaxError, "The molecule '" + `mol_name` + "' 
already exists in the sequence."
 
             # Append an empty MoleculeContainer.
-            self.append(MoleculeContainer(mol_name, select))
+            self.append(MoleculeContainer(mol_name))
 
 
     def is_empty(self):