def __init__(self, assy, list):
Jig.__init__(self, assy, list)
self.cancelled = False
# set default color of new gamess jig to magenta
self.color = magenta # This is the "draw" color. When selected, this will become highlighted red.
self.normcolor = magenta # This is the normal (unselected) color.
#bruce 050913 thinks self.history is no longer needed:
## self.history = env.history
#self.psets = [] # list of parms set objects [as of circa 050704, only the first of these is ever defined (thinks bruce)]
self.pset = gamessParms('Parameter Set 1')
self.gmsjob = GamessJob(Gamess.job_parms, jig=self)
## bruce 050701 removing this: self.gmsjob.edit()
self.outputfile = '' # Name of jig's most recent output file. [this attr is intentionally not copied -- bruce 050704]
def __createJobs(self, jobInfoList):
"""
Create SimJob objects, return the list of job objects
"""
jobs = []
for j in jobInfoList:
if j[0]['Engine'] in ['GAMESS', 'PC GAMESS']:
#Create GamessJob, call GamessJob.readProp()
jobs += [GamessJob(j[0], job_from_file =j[1:])]
elif j[0]['Engine'] == 'nanoSIM-1':
#Create nanoEngineer-1 MD simulator job
pass
return jobs