def get_sim_data(self):
"""
Return the set of parameters and data needed to run the Nano-Hive simulation.
"""
sp = NanoHive_SimParameters()
sp.desc = self.description_textedit.toPlainText()
sp.iterations = self.nframes_spinbox.value() # Iterations = Frames
sp.spf = self.stepsper_spinbox.value() * 1e-17 # Steps per Frame
sp.temp = self.temp_spinbox.value() # Temp in Kelvin
sp.esp_image = self.esp_image
return sp
def get_sim_parms(self):
sim_parms = NanoHive_SimParameters()
sim_parms.desc = 'ESP Calculation from MT Context Menu for ' + self.name
sim_parms.iterations = 1
sim_parms.spf = 1e-17 # Steps per Frame
sim_parms.temp = 300 # Room temp
# Get updated multiplicity from this ESP image jig bbox
atomList = self.findObjsInside()
self.multiplicity = getMultiplicity(atomList)
sim_parms.esp_image = self
return sim_parms
def get_sim_parms(self):
sim_parms = NanoHive_SimParameters()
sim_parms.desc = 'ESP Calculation from MT Context Menu for ' + self.name
sim_parms.iterations = 1
sim_parms.spf = 1e-17 # Steps per Frame
sim_parms.temp = 300 # Room temp
# Get updated multiplicity from this ESP image jig bbox
atomList = self.findObjsInside()
self.multiplicity = getMultiplicity(atomList)
sim_parms.esp_image = self
return sim_parms
