Author: bugman
Date: Thu Jan 15 18:03:36 2009
New Revision: 8484
URL: http://svn.gna.org/viewcvs/relax?rev=8484&view=rev
Log:
Bug fixes for the non-protein and non-RNA Scientific python molecules.
A new MolContainer list-type class has been added to store the molecules.
Modified:
branches/multi_structure/generic_fns/structure/scientific.py
Modified: branches/multi_structure/generic_fns/structure/scientific.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/scientific.py?rev=8484&r1=8483&r2=8484&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/scientific.py (original)
+++ branches/multi_structure/generic_fns/structure/scientific.py Thu Jan 15
18:03:36 2009
@@ -202,7 +202,10 @@
# Other molecules.
else:
res_index = -1
+ print mol
+ print "\n"*10
for res in mol:
+ print res
# Residue index.
res_index = res_index + 1
@@ -638,8 +641,15 @@
# Finally all other molecules (generating the molecule names and
incrementing the molecule index).
if hasattr(model, 'molecules'):
for key in model.molecules.keys():
- mol_conts[-1].append(model.molecules[key][0])
+ # Add an empty list-type container.
+ mol_conts[-1].append(MolContainer())
mol_conts[-1][-1].mol_type = 'other'
+
+ # Loop over the molecules.
+ for mol in model.molecules[key]:
+ mol_conts[-1][-1].append(mol)
+
+ # Update structures.
self.target_mol_name(set=set_mol_name,
target=new_mol_name, index=mol_index, mol_num=mol_index+1, file=file)
mol_index = mol_index + 1
@@ -651,3 +661,7 @@
# Loading worked.
return True
+
+
+class MolContainer(list):
+ """The empty list-type container for the non-protein and non-RNA molecular
information."""
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
