mailr7602 - in /1.3/generic_fns: dasha.py mol_res_spin.py


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Posted by edward on October 11, 2008 - 21:16:
Author: bugman
Date: Sat Oct 11 21:16:30 2008
New Revision: 7602

URL: http://svn.gna.org/viewcvs/relax?rev=7602&view=rev
Log:
Created the 2 new API functions: first_residue_num() and last_residue_num().


Modified:
    1.3/generic_fns/dasha.py
    1.3/generic_fns/mol_res_spin.py

Modified: 1.3/generic_fns/dasha.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/dasha.py?rev=7602&r1=7601&r2=7602&view=diff
==============================================================================
--- 1.3/generic_fns/dasha.py (original)
+++ 1.3/generic_fns/dasha.py Sat Oct 11 21:16:30 2008
@@ -33,7 +33,7 @@
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
 from generic_fns import angles, diffusion_tensor, pipes
-from generic_fns.mol_res_spin import exists_mol_res_spin_data, residue_loop, 
spin_loop
+from generic_fns.mol_res_spin import exists_mol_res_spin_data, 
first_residue_num, last_residue_num, residue_loop, spin_loop
 from relax_errors import RelaxDirError, RelaxError, RelaxFileError, 
RelaxNoPdbError, RelaxNoSequenceError, RelaxNoTensorError, RelaxNucleusError
 from relax_io import mkdir_nofail, open_write_file, test_binary
 from specific_fns.setup import model_free_obj

Modified: 1.3/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/mol_res_spin.py?rev=7602&r1=7601&r2=7602&view=diff
==============================================================================
--- 1.3/generic_fns/mol_res_spin.py (original)
+++ 1.3/generic_fns/mol_res_spin.py Sat Oct 11 21:16:30 2008
@@ -1179,6 +1179,20 @@
                         return mol_index, res_index, spin_index
 
 
+def first_residue_num(selection=None):
+    """Determine the first residue number.
+
+    @return:    The number of the first residue.
+    @rtype:     int
+    """
+
+    # Get the molecule.
+    mol = return_molecule(selection)
+
+    # The first residue number.
+    return mol.res[0].num
+
+
 def generate_spin_id(mol_name=None, res_num=None, res_name=None, 
spin_num=None, spin_name=None):
     """Generate the spin selection string.
 
@@ -1267,6 +1281,20 @@
 
     # Return the spin id string.
     return id
+
+
+def last_residue_num(selection=None):
+    """Determine the last residue number.
+
+    @return:    The number of the last residue.
+    @rtype:     int
+    """
+
+    # Get the molecule.
+    mol = return_molecule(selection)
+
+    # The last residue number.
+    return mol.res[-1].num
 
 
 def molecule_loop(selection=None, pipe=None):




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