def getOptions(trials, material, duplex_complex, dangle, success_stop_condition, failed_stop_condition): o = Options(simulation_mode="First Step", substrate_type=material, rate_method="Metropolis", num_simulations=trials, simulation_time=ATIME_OUT, temperature=T) o.start_state = [duplex_complex, dangle] o.stop_conditions = [success_stop_condition, failed_stop_condition] # FD: The result of this script depend significantly on JS or DNA23 parameterization. o.unimolecular_scaling = 5.0e6; o.bimolecular_scaling = 1.4e6; return o
def helper_create_Multistrand_options(self, sequence, time, count): """ helper """ s1 = Strand("test_strand1", str(sequence), None) c1 = Complex(1, "start", [s1], "." * len(sequence)) o = Options() o.simulation_mode = Constants.SIMULATION_MODE['Python Module'] o.use_stop_states = False o.num_simulations = count o.simulation_time = time o.start_state = [c1] o.dangles = Constants.DANGLES['All'] o.rate_method = Constants.RATEMETHOD['Kawasaki'] o.bimolecular_scaling = 1.0 o.unimolecular_scaling = 1.0 o.temperature = 37.0 o.boltzmann_sample = False return o