r5423 - /1.3/generic_fns/structure/main.py -- April 08, 2008 - 14:24

Author: bugman
Date: Tue Apr  8 14:24:13 2008
New Revision: 5423

URL: http://svn.gna.org/viewcvs/relax?rev=5423&view=rev
Log:
Spun out the code for loading spins from read_pdb() to load_spins().


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=5423&r1=5422&r2=5423&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Tue Apr  8 14:24:13 2008
@@ -36,7 +36,26 @@
 
 
 
-def read_pdb(file=None, dir=None, model=None, parser='scientific', 
spin_id=None, load_seq=True, fail=True, verbosity=1):
+def load_spins(spin_id=None):
+    """Load the spins from the structural object into the relax data store.
+
+    @keyword spin_id:       The spin identification string.
+    @type spin_id:          str
+    """
+
+    # Test if the current data pipe exists.
+    if not relax_data_store.current_pipe:
+        raise RelaxNoPipeError
+
+    # Alias the current data pipe.
+    cdp = relax_data_store[relax_data_store.current_pipe]
+
+    # Sequence loading.
+    if not exists_mol_res_spin_data():
+        load_PDB_sequence()
+
+
+def read_pdb(file=None, dir=None, model=None, parser='scientific', 
fail=True, verbosity=1):
     """The PDB loading function.
 
     Parsers
@@ -56,11 +75,6 @@
     @type model:            int or None
     @keyword parser:        The parser to be used to read the PDB file.
     @type parser:           str
-    @keyword spid_id:       The spin identification string.
-    @type spid_id:          str
-    @keyword load_seq:      A flag which, if True, will cause the sequence 
to be loaded from the
-                            structural data object into the relax data store.
-    @type load_seq:         bool
     @keyword fail:          A flag which, if True, will cause a RelaxError 
to be raised if the PDB
                             file does not exist.  If False, then a 
RelaxWarning will be trown
                             instead.
@@ -101,10 +115,6 @@
 
     # Load the structures.
     cdp.structure.load_structures(file_path, model, verbosity)
-
-    # Sequence loading.
-    if load_seq and not exists_mol_res_spin_data():
-        load_PDB_sequence()
 
     # Load into Molmol (if running).
     molmol.open_pdb()