mailr5837 - /1.3/generic_fns/structure/main.py


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Posted by edward on April 20, 2008 - 12:55:
Author: bugman
Date: Sun Apr 20 12:55:22 2008
New Revision: 5837

URL: http://svn.gna.org/viewcvs/relax?rev=5837&view=rev
Log:
The generate_spin_id() fn is now being called by the vectors() fn.


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=5837&r1=5836&r2=5837&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Sun Apr 20 12:55:22 2008
@@ -28,7 +28,7 @@
 # relax module imports.
 from data import Data as relax_data_store
 from generic_fns import molmol
-from generic_fns.selection import exists_mol_res_spin_data, return_molecule, 
return_residue, return_spin, spin_loop
+from generic_fns.selection import exists_mol_res_spin_data, 
generate_spin_id, return_molecule, return_residue, return_spin, spin_loop
 from generic_fns.sequence import write_header, write_line
 from generic_fns.structure.scientific import Scientific_data
 from relax_errors import RelaxError, RelaxFileError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxPdbError
@@ -233,21 +233,8 @@
         model_num, mol_name, res_num, res_name, atom_num, atom_name, 
element, pos = atom
 
         # The spin identification string.
-        spin_id = ''
-        if mol_name != None:
-            spin_id = spin_id + '#' + mol_name
-        if res_num != None and res_name != None:
-            spin_id = spin_id + ':' + `res_num` + '&:' + res_name
-        elif res_num != None:
-            spin_id = spin_id + ':' + `res_num`
-        elif res_name != None:
-            spin_id = spin_id + ':' + res_name
-        if atom_num != None and atom_name != None:
-            spin_id = spin_id + '@' + `atom_num` + '&@' + atom_name
-        elif atom_num != None:
-            spin_id = spin_id + '@' + `atom_num`
-        elif atom_name != None:
-            spin_id = spin_id + '@' + atom_name
+        spin_id = generate_spin_id(mol_name, res_num, res_name, atom_num, 
atom_name)
+        print spin_id
 
         # Get the corresponding spin.
         spin = return_spin(selection=spin_id)




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