mailr5830 - /1.3/generic_fns/structure/api_base.py


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Posted by edward on April 20, 2008 - 12:25:
Author: bugman
Date: Sun Apr 20 12:25:41 2008
New Revision: 5830

URL: http://svn.gna.org/viewcvs/relax?rev=5830&view=rev
Log:
Modified the structural API stub method atom_loop() to accept the 
model_num_flag arg.


Modified:
    1.3/generic_fns/structure/api_base.py

Modified: 1.3/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/api_base.py?rev=5830&r1=5829&r2=5830&view=diff
==============================================================================
--- 1.3/generic_fns/structure/api_base.py (original)
+++ 1.3/generic_fns/structure/api_base.py Sun Apr 20 12:25:41 2008
@@ -92,26 +92,29 @@
         raise RelaxImplementError
 
 
-    def atom_loop(self, atom_id=None, mol_name_flag=False, 
res_num_flag=False, res_name_flag=False, atom_num_flag=False, 
atom_name_flag=False, element_flag=False, pos_flag=False):
+    def atom_loop(self, atom_id=None, model_num_flag=False, 
mol_name_flag=False, res_num_flag=False, res_name_flag=False, 
atom_num_flag=False, atom_name_flag=False, element_flag=False, 
pos_flag=False):
         """Prototype generator method stub for looping over all atoms in the 
structural data object.
 
         This method should be designed as a generator 
(http://www.python.org/dev/peps/pep-0255/).
         It should loop over all atoms of the system yielding the following 
atomic information, if
         the corresponding flag is True, in tuple form:
 
-            1.  Molecule name.
-            2.  Residue number.
-            3.  Residue name.
-            4.  Atom number.
-            5.  Atom name.
-            6.  The element name (its atomic symbol and optionally the 
isotope, e.g. 'N', 'Mg',
+            1.  Model number.
+            2.  Molecule name.
+            3.  Residue number.
+            4.  Residue name.
+            5.  Atom number.
+            6.  Atom name.
+            7.  The element name (its atomic symbol and optionally the 
isotope, e.g. 'N', 'Mg',
                 '17O', '13C', etc).
-            7.  The position of the atom in Euclidean space.
+            8.  The position of the atom in Euclidean space.
 
 
         @keyword atom_id:           The molecule, residue, and atom 
identifier string.  Only atoms
                                     matching this selection will be yielded.
         @type atom_id:              str
+        @keyword model_num_flag:    A flag which if True will cause the 
model number to be yielded.
+        @type model_num_flag:       bool
         @keyword mol_name_flag:     A flag which if True will cause the 
molecule name to be yielded.
         @type mol_name_flag:        bool
         @keyword res_num_flag:      A flag which if True will cause the 
residue number to be




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