mailr16914 - /trunk/generic_fns/mol_res_spin.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on June 14, 2012 - 16:27:
Author: bugman
Date: Thu Jun 14 16:27:58 2012
New Revision: 16914

URL: http://svn.gna.org/viewcvs/relax?rev=16914&view=rev
Log:
Added the 'pipe' argument to generic_fns.mol_res_spin.return_spin_from_id().

This is to mimic the return_spin() function.


Modified:
    trunk/generic_fns/mol_res_spin.py

Modified: trunk/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/mol_res_spin.py?rev=16914&r1=16913&r2=16914&view=diff
==============================================================================
--- trunk/generic_fns/mol_res_spin.py (original)
+++ trunk/generic_fns/mol_res_spin.py Thu Jun 14 16:27:58 2012
@@ -2432,29 +2432,38 @@
         return spin_container
 
 
-def return_spin_from_id(spin_id=None, full_info=False):
+def return_spin_from_id(spin_id=None, pipe=None, full_info=False):
     """Return the spin data container corresponding to the given spin ID 
string.
 
     @keyword spin_id:   The unique spin ID string.
     @type spin_id:      str
+    @param pipe:        The data pipe containing the spin.  Defaults to the 
current data pipe.
+    @type pipe:         str
     @param full_info:   A flag specifying if the amount of information to be 
returned.  If false, only the data container is returned.  If true, the 
molecule name, residue number, and residue name is additionally returned.
     @type full_info:    boolean
     @return:            The spin system specific data container and, if 
full_info=True, the molecule name, residue number, and residue name.
     @rtype:             SpinContainer instance or tuple of (str, int, str, 
SpinContainer instance)
     """
 
+    # The data pipe.
+    if pipe == None:
+        pipe = pipes.cdp_name()
+
+    # Get the data pipe.
+    dp = pipes.get_pipe(pipe)
+
     # No spin ID.
-    if not cdp.mol.lookup_table.has_key(spin_id):
+    if not dp.mol.lookup_table.has_key(spin_id):
         raise RelaxError("The spin ID '%s' cannot be found in the look up 
table." % spin_id)
 
     # The indices from the look up table.
-    mol_index, res_index, spin_index = cdp.mol.lookup_table[spin_id]
+    mol_index, res_index, spin_index = dp.mol.lookup_table[spin_id]
 
     # Return the data.
     if full_info:
-        return cdp.mol[mol_index].name, 
cdp.mol[mol_index].res[res_index].num, 
cdp.mol[mol_index].res[res_index].name, 
cdp.mol[mol_index].res[res_index].spin[spin_index]
+        return dp.mol[mol_index].name, dp.mol[mol_index].res[res_index].num, 
dp.mol[mol_index].res[res_index].name, 
dp.mol[mol_index].res[res_index].spin[spin_index]
     else:
-        return cdp.mol[mol_index].res[res_index].spin[spin_index]
+        return dp.mol[mol_index].res[res_index].spin[spin_index]
 
 
 




Related Messages


Powered by MHonArc, Updated Thu Jun 14 16:40:02 2012