r4925 - /1.3/generic_fns/molmol.py -- February 07, 2008 - 11:34

Author: bugman
Date: Thu Feb  7 11:34:37 2008
New Revision: 4925

URL: http://svn.gna.org/viewcvs/relax?rev=4925&view=rev
Log:
Converted the Molmol write() function to the new relax design.


Modified:
    1.3/generic_fns/molmol.py

Modified: 1.3/generic_fns/molmol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/molmol.py?rev=4925&r1=4924&r2=4925&view=diff
==============================================================================
--- 1.3/generic_fns/molmol.py (original)
+++ 1.3/generic_fns/molmol.py Thu Feb  7 11:34:37 2008
@@ -259,24 +259,32 @@
         pipe_open()
 
 
-def write(run=None, data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None, file=None, dir=None, force=0):
-    """Function for creating a Molmol macro."""
-
-    # Arguments.
-    run = run
-    data_type = data_type
-    style = style
-    colour_start = colour_start
-    colour_end = colour_end
-    colour_list = colour_list
-
-    # Test if the run exists.
-    if not run in relax_data_store.run_names:
-        raise RelaxNoPipeError, run
+def write(data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None, file=None, dir=None, force=False):
+    """Function for creating a Molmol macro.
+
+    @param data_type:       The data type or parameter name of which to map 
its values onto the
+                            structure.
+    @type data_type:        str
+    @param style:           The style for the Molmol macro.
+    @type style:            str
+    @param colour_start:    The starting colour.
+    @type colour_start:     str or list of 3 floats
+    @param colour_end:      The terminating colour.
+    @type colour_end:       str or list of 3 floats
+    @param colour_list:     The type of colour being specified (either 
'molmol' or 'x11').
+    @type colour_list:      str
+    @param file:            The name of the Molmol macro file to be created.
+    @type file:             str
+    @param dir:             The dirctory for placing the file into.
+    @type dir:              str
+    @param force:           A flag which, if True, will cause the file to be 
overwritten if it
+                            already exists.
+    @type force:            bool
+    """
 
     # Test if the sequence data is loaded.
-    if not relax_data_store.res.has_key(run):
-        raise RelaxNoSequenceError, run
+    if not exists_mol_res_spin_data():
+        raise RelaxNoSequenceError
 
     # Create the macro.
     commands = create_macro()