import unittest import numpy as np import matplotlib.pyplot as plt from nqr_blochsimulator.classes.sample import Sample from nqr_blochsimulator.classes.simulation import Simulation from nqr_blochsimulator.classes.pulse import PulseArray class TestSimulation(unittest.TestCase): def setUp(self): self.sample = Sample( "BiPh3", density=1.585e6 ,#g/m^3 molar_mass=440.3, #g/mol resonant_frequency=83.56e6, #Hz gamma=4.342e7, #Hz/T nuclear_spin=9/2, spin_factor=2, powder_factor=0.75, filling_factor=0.7, T1=83.5e-5, #s T2=396e-6, #s T2_star=50e-6, #s ) simulation_length = 300e-6 dwell_time = 1e-6 self.time_array = np.arange(0, simulation_length, dwell_time) pulse_length = 3e-6 # Simple FID sequence with pulse length of 3µs pulse_amplitude_array = np.zeros(int(simulation_length/dwell_time)) pulse_amplitude_array[:int(pulse_length/dwell_time)] = 1 pulse_phase_array = np.zeros(int(simulation_length/dwell_time)) self.pulse = PulseArray( pulseamplitude=pulse_amplitude_array, pulsephase=pulse_phase_array, dwell_time=dwell_time ) self.simulation = Simulation( sample=self.sample, number_isochromats=1000, initial_magnetization=1, gradient=1, noise=2456.3, length_coil=6e-3, diameter_coil=3e-3, number_turns=9, power_amplifier_power=500, pulse = self.pulse, averages = 1, gain = 6000, temperature=77, loss_TX=12, loss_RX=12 ) def test_simulation(self): M = self.simulation.simulate() # Plotting the results plt.plot(self.time_array * 1e6, abs(M)) plt.xlabel("Time (µs)") plt.ylabel("Magnetization (a.u.)") plt.title("FID of BiPh3") plt.show()