Author: bugman
Date: Sat Sep 30 15:20:34 2006
New Revision: 2588
URL: http://svn.gna.org/viewcvs/relax?rev=2588&view=rev
Log:
Modified the Modelfree4 execution code to test the return status when a PDB
file is used.
Modified:
1.2/generic_fns/palmer.py
Modified: 1.2/generic_fns/palmer.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/palmer.py?rev=2588&r1=2587&r2=2588&view=diff
==============================================================================
--- 1.2/generic_fns/palmer.py (original)
+++ 1.2/generic_fns/palmer.py Sat Sep 30 15:20:34 2006
@@ -456,12 +456,17 @@
if search('out$', file) or search('rotate$', file):
remove(file)
- # Execute Modelfree4.
+ # Execute Modelfree4 (inputting a PDB file).
if pdb:
- spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin', '-d',
'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out', '-s', pdb)
+ status = spawnlp(P_WAIT, self.binary, self.binary, '-i',
'mfin', '-d', 'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e',
'out', '-s', pdb)
+ if status:
+ raise RelaxProgFailError, 'Modelfree4'
+
+
+ # Execute Modelfree4 (without a PDB file).
else:
- test = spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin',
'-d', 'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out')
- if test:
+ status = spawnlp(P_WAIT, self.binary, self.binary, '-i',
'mfin', '-d', 'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e',
'out')
+ if status:
raise RelaxProgFailError, 'Modelfree4'
# Failure.
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