def run_nanohive(self):
"""
Slot for "Run Simulation" button.
"""
sim_name = self.get_sim_name()
sim_parms = self.get_sim_data()
sims_to_run = self.get_sims_to_run()
results_to_save = self.get_results_to_save()
run_nh_simulation(self.assy, sim_name, sim_parms, sims_to_run, results_to_save)
def calculate_esp(self):
cmd = greenmsg("Calculate ESP: ")
errmsgs = [ # warning: their indices in this list matter.
"Error: Nano-Hive plug-in not enabled.",
"Error: Nano-Hive Plug-in path is empty.",
"Error: Nano-Hive plug-in path points to a file that does not exist.",
"Error: Nano-Hive plug-in is not Version 1.2b.",
"Error: Couldn't connect to Nano-Hive instance.",
"Error: Load command failed.",
"Error: Run command failed.",
"Simulation Aborted"
]
sim_parms = self.get_sim_parms()
sims_to_run = ["MPQC_ESP"]
results_to_save = [] # Results info included in write_nh_mpqc_esp_rec()
# Temporary file name of ESP image file.
nhdir = find_or_make_Nanorex_subdir("Nano-Hive")
tmp_espimage_file = os.path.join(nhdir, "%s.png" % (self.name))
# Destination (permanent) file name of ESP image file.
espimage_file = get_nh_espimage_filename(self.assy, self.name)
msg = "Running ESP calculation on [%s]. " \
"Results will be written to: [%s]" % (self.name, espimage_file)
env.history.message( cmd + msg )
r = run_nh_simulation(self.assy, 'CalcESP',
sim_parms, sims_to_run, results_to_save)
if r:
msg = redmsg(errmsgs[r - 1])
env.history.message( cmd + msg )
return
msg = "ESP calculation on [%s] finished." % (self.name)
env.history.message( cmd + msg )
# Move tmp file to permanent location. Make sure the tmp file is there.
if os.path.exists(tmp_espimage_file):
shutil.move(tmp_espimage_file, espimage_file)
else:
print "Temporary ESP Image file ", tmp_espimage_file, \
" does not exist. Image not loaded."
return
self.espimage_file = espimage_file
self.load_espimage_file()
self.assy.changed()
self.assy.w.win_update()
return
