mailr9715 - /branches/bmrb/generic_fns/bmrb.py


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Posted by edward on October 09, 2009 - 20:52:
Author: bugman
Date: Fri Oct  9 20:52:52 2009
New Revision: 9715

URL: http://svn.gna.org/viewcvs/relax?rev=9715&view=rev
Log:
The bmrb.software_select() user function is now more functional.


Modified:
    branches/bmrb/generic_fns/bmrb.py

Modified: branches/bmrb/generic_fns/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb.py?rev=9715&r1=9714&r2=9715&view=diff
==============================================================================
--- branches/bmrb/generic_fns/bmrb.py (original)
+++ branches/bmrb/generic_fns/bmrb.py Fri Oct  9 20:52:52 2009
@@ -28,6 +28,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
+from data.exp_info import ExpInfo
 from relax_errors import RelaxError, RelaxFileError, 
RelaxFileOverwriteError, RelaxNoPipeError
 from relax_io import get_file_path, mkdir_nofail
 from specific_fns.setup import get_specific_fn
@@ -81,9 +82,17 @@
     @type version:      str
     """
 
+    # Unknown program.
+    if name not in ['NMRPipe', 'Sparky']:
+        raise RelaxError("The software '%s' is unknown.  Please use the user 
function for manually specifying software details instead." % name)
+
+    # Set up the experimental info data container, if needed.
+    if not hasattr(cdp, 'exp_info'):
+        cdp.exp_info = ExpInfo()
+
     # NMRPipe.
     if name == 'NMRPipe':
-        pass
+        cdp.exp_info.software_setup('NMRPipe', version=version, 
url='http://spin.niddk.nih.gov/NMRPipe/')
 
     # Sparky.
     elif name == 'Sparky':
@@ -91,11 +100,8 @@
         if not version:
             raise RelaxError("The Sparky version number has not been 
supplied.")
 
-        # The data.
-
-    # Unknown program.
-    else:
-        raise RelaxError("The software '%s' is unknown.  Please use the user 
function for manually specifying software details instead." % name)
+        # Add the data.
+        cdp.exp_info.software_setup('Sparky', version=version, 
url='http://www.cgl.ucsf.edu/home/sparky/')
 
 
 def write(file=None, directory=None, version='3.1', force=False):




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