r4073 - /1.3/generic_fns/selection.py -- November 27, 2007 - 12:00

Author: bugman
Date: Tue Nov 27 12:00:32 2007
New Revision: 4073

URL: http://svn.gna.org/viewcvs/relax?rev=4073&view=rev
Log:
Created the new function generic_fns.selection.generate_spin_id().

This will return an ID string for the spin.


Modified:
    1.3/generic_fns/selection.py

Modified: 1.3/generic_fns/selection.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/selection.py?rev=4073&r1=4072&r2=4073&view=diff
==============================================================================
--- 1.3/generic_fns/selection.py (original)
+++ 1.3/generic_fns/selection.py Tue Nov 27 12:00:32 2007
@@ -402,6 +402,52 @@
     return False
 
 
+def generate_spin_id(data=None, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None):
+    """Function for generating the spin selection string from the given data.
+
+    @param data:            An array containing the molecule, residue, 
and/or spin data.
+    @type data:             list of str
+    @param mol_name_col:    The column containing the molecule name 
information.
+    @type mol_name_col:     int or None
+    @param res_name_col:    The column containing the residue name 
information.
+    @type res_name_col:     int or None
+    @param res_num_col:     The column containing the residue number 
information.
+    @type res_num_col:      int or None
+    @param spin_name_col:   The column containing the spin name information.
+    @type spin_name_col:    int or None
+    @param spin_num_col:    The column containing the spin number 
information.
+    @type spin_num_col:     int or None
+    @return:                The spin identification string.
+    @type return:           str
+    """
+
+    # Init.
+    id = ""
+
+    # Molecule data.
+    if mol_name_col != None:
+        id = id + "#" + data[mol_name_col]
+
+    # Residue data.
+    if res_num_col != None:
+        id = id + ":" + data[res_num_col]
+    if  res_num_col != None and res_name_col != None:
+        id = id + "&" + data[res_name_col]
+    elif res_name_col != None:
+        id = id + ":" + data[res_name_col]
+
+    # Spin data.
+    if spin_num_col != None:
+        id = id + "@" + data[spin_num_col]
+    if  spin_num_col != None and spin_name_col != None:
+        id = id + "&" + data[spin_name_col]
+    elif spin_name_col != None:
+        id = id + "@" + data[spin_name_col]
+
+    # Return the spin id string.
+    return id
+
+
 def molecule_loop(selection=None, pipe=None):
     """Generator function for looping over all the molecules of the given 
selection.