mirror of
https://github.com/nqrduck/nqr-blochsimulator.git
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87 lines
2.6 KiB
Python
87 lines
2.6 KiB
Python
import unittest
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import numpy as np
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import logging
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import matplotlib.pyplot as plt
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from nqr_blochsimulator.classes.sample import Sample
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from nqr_blochsimulator.classes.simulation import Simulation
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from nqr_blochsimulator.classes.pulse import PulseArray
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logger = logging.getLogger(__name__)
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logging.basicConfig(level=logging.INFO)
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class TestSimulation(unittest.TestCase):
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def setUp(self):
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self.sample = Sample(
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"BiPh3",
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atoms=0,
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density=1.585e6, # g/m^3
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molar_mass=440.3, # g/mol
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resonant_frequency=83.56e6, # Hz
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gamma=43.42, # MHz/T
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nuclear_spin= "9/2",
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spin_factor=1.94,
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powder_factor=0.75,
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filling_factor=0.7,
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T1=83.5, # µs
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T2=396, # µs
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T2_star=50, # µs
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)
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simulation_length = 300e-6
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dwell_time = 1e-6
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self.time_array = np.arange(0, simulation_length, dwell_time)
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pulse_length = 3e-6
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# Simple FID sequence with pulse length of 3µs
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pulse_amplitude_array = np.zeros(int(simulation_length / dwell_time))
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pulse_amplitude_array[: int(pulse_length / dwell_time)] = 1
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pulse_phase_array = np.zeros(int(simulation_length / dwell_time))
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self.pulse = PulseArray(
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pulseamplitude=pulse_amplitude_array,
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pulsephase=pulse_phase_array,
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dwell_time=dwell_time,
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)
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self.simulation = Simulation(
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sample=self.sample,
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number_isochromats=1000,
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initial_magnetization=1,
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gradient=1,
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noise=0.5,
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length_coil=6, # mm
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diameter_coil=3, # mm
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number_turns=9,
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q_factor_transmit=100,
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q_factor_receive=100,
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power_amplifier_power=110,
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pulse=self.pulse,
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averages=1000,
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gain=5600,
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temperature=300,
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loss_TX=12,
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loss_RX=12,
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conversion_factor=2884, # This is for the LimeSDR based spectrometer
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)
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def test_simulation(self):
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M = self.simulation.simulate()
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# Plotting the results
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plt.plot(self.time_array * 1e6, abs(M))
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plt.xlabel("Time (µs)")
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plt.ylabel("Magnetization (a.u.)")
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plt.title("FID of BiPh3")
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plt.show()
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def test_spin_factor_calculation(self):
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spin = 2.5
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transition = 2
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spin_factor = self.sample.calculate_spin_transition_factor(spin, transition)
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logger.info("Spin factor: " + str(spin_factor))
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if __name__ == "__main__":
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unittest.main()
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