import unittest import numpy as np import logging 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 logger = logging.getLogger(__name__) logging.basicConfig(level=logging.INFO) class TestSimulation(unittest.TestCase): def setUp(self): self.sample = Sample( "BiPh3", atoms=0, density=1.585e6, # g/m^3 molar_mass=440.3, # g/mol resonant_frequency=83.56e6, # Hz gamma=43.42, # MHz/T nuclear_spin= "9/2", spin_factor=1.94, powder_factor=0.75, filling_factor=0.7, T1=83.5, # µs T2=396, # µs T2_star=50, # µs ) 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=0.5, length_coil=6, # mm diameter_coil=3, # mm number_turns=9, q_factor_transmit=100, q_factor_receive=100, power_amplifier_power=110, pulse=self.pulse, averages=1000, gain=5600, temperature=300, loss_TX=12, loss_RX=12, conversion_factor=2884, # This is for the LimeSDR based spectrometer ) 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() def test_spin_factor_calculation(self): spin = 2.5 transition = 2 spin_factor = self.sample.calculate_spin_transition_factor(spin, transition) logger.info("Spin factor: " + str(spin_factor)) if __name__ == "__main__": unittest.main()