if params['watch_output']:
desc.set_watch_output(params['watch_output'], params['watch_output_pattern'])
+ #print "testowanie ",
przemytnik = params['env_variables']
- if params['force_field']:
- przemytnik.append([u'UNRESPORTAL_FORCEFIELD',params['force_field']])
+ kontrabanda =( (u'UNRESPORTAL_FORCEFIELD', 'force_field'), (u'UNRESPORTAL_SEQUENCE', 'sequence'),
+ (u'UNRESPORTAL_PDBFILE','pdb_file'), (u'UNRESPORTAL_NSTEP','nstep'),
+ (u'UNRESPORTAL_NTWE', 'ntwe'), (u'UNRESPORTAL_NTWX','ntwx'),
+ (u'UNRESPORTAL_DT', 'dt'), (u'UNRESPORTAL_DAMAX', 'damax'))
+
+ print "> Przed: ",przemytnik
+ for p in przemytnik:
+ print "-",p
+ for k in kontrabanda:
+ if p[0]==k[0]:
+ print " usuwam",p
+ przemytnik.remove(p)
+ break
+
+ print "> Po: ",przemytnik
+ for p in przemytnik:
+ print "-",p
+
+ for k in kontrabanda:
+ if params[k[1]]:
+ przemytnik.append( [ k[0], params[k[1]] ] )
+ '''
+ if params[k[1]]:
+ print params[k[1]]
+ print k
+ try:
+ setattr(przemytnik, k[0], params[k[1]] )
+ print "setattr"
+ except AttributeError:
+ przemytnik.append( [ k[0], params[k[1]] ] )
+ print "append"
+
+
if params['sequence']:
przemytnik.append([u'UNRESPORTAL_SEQUENCE',params['sequence']])
if params['pdb_file']:
przemytnik.append([u'UNRESPORTAL_DT',params['dt']])
if params['damax']:
przemytnik.append([u'UNRESPORTAL_DAMAX',params['damax']])
-
+ '''
setattr(desc, 'env_variables', przemytnik)
# TODO monitoring