r7615 - /1.3/generic_fns/palmer.py -- October 11, 2008 - 23:04

Author: bugman
Date: Sat Oct 11 23:04:16 2008
New Revision: 7615

URL: http://svn.gna.org/viewcvs/relax?rev=7615&view=rev
Log:
Converted the create() args to keyword args and the docstring to epydoc 
format.


Modified:
    1.3/generic_fns/palmer.py

Modified: 1.3/generic_fns/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/palmer.py?rev=7615&r1=7614&r2=7615&view=diff
==============================================================================
--- 1.3/generic_fns/palmer.py (original)
+++ 1.3/generic_fns/palmer.py Sat Oct 11 23:04:16 2008
@@ -43,8 +43,8 @@
 from relax_io import mkdir_nofail, open_write_file, test_binary
 
 
-def create(dir, force, binary, diff_search, sims, sim_type, trim, steps, 
constraints, heteronuc_type, atom1, atom2, spin_id):
-    """Function for creating the Modelfree4 input files.
+def create(dir=None, binary=None, diff_search=None, sims=None, 
sim_type=None, trim=None, steps=None, heteronuc_type=None, atom1=None, 
atom2=None, spin_id=None, force=False, constraints=True):
+    """Create the Modelfree4 input files.
 
     The following files are created:
         - dir/mfin
@@ -52,6 +52,41 @@
         - dir/mfpar
         - dir/mfmodel
         - dir/run.sh
+
+    @keyword dir:               The optional directory to place the files 
into.  If None, then the
+                                files will be placed into a directory named 
after the current data
+                                pipe.
+    @type dir:                  str or None
+    @keyword binary:            The name of the Modelfree4 binary file.  
This can include the path
+                                to the binary.
+    @type binary:               str
+    @keyword diff_search:       The diffusion tensor search algorithm (see 
the Modelfree4 manual for
+                                details).
+    @type diff_search:          str
+    @keyword sims:              The number of Monte Carlo simulations to 
perform.
+    @type sims:                 int
+    @keyword sim_type:          The type of simulation to perform (see the 
Modelfree4 manual for
+                                details).
+    @type sim_type:             str
+    @keyword trim:              Trimming of the Monte Carlo simulations (see 
the Modelfree4 manual
+                                for details).
+    @type trim:                 int
+    @keyword steps:             The grid search size (see the Modelfree4 
manual for details).
+    @type steps:                int
+    @keyword heteronuc_type:    The Modelfree4 three letter code for the 
heteronucleus type, e.g.
+                                '15N', '13C', etc.
+    @type heteronuc_type:       str
+    @keyword atom1:             The name of the heteronucleus in the PDB 
file.
+    @type atom1:                str
+    @keyword atom2:             The name of the proton in the PDB file.
+    @type atom2:                str
+    @keyword spin_id:           The spin identification string.
+    @type spin_id:              str
+    @keyword force:             A flag which if True will cause all 
pre-existing files to be
+                                overwritten.
+    @type force:                bool
+    @keyword constraints:       A flag which if True will result in 
constrained optimisation.
+    @type constraints:          bool
     """
 
     # Test if the current pipe exists.