Source code for pept.simulation.peptsim

#!/usr/bin/env python3
# -*- coding: utf-8 -*-
# File              : PEPTsimulator.py
# License           : License: GNU v3.0
# Author            : Andrei Leonard Nicusan <aln705@student.bham.ac.uk>
# Date              : 01.07.2019


import  numpy                   as          np

from    tqdm                    import      tqdm




class Shape:
    '''Class of shape functions which return a random [x, y, z] point inside a
    given shape (sphere, cylinder, etc) centred around the origin.
    '''

    def __init__(self, x=0.5, y=0.5, z=0.5):
        '''x, y, z are coordinate ranges for the three
        major axes. For example:
        For a sphere, x is radius; y and z are unused
        For a cylinder, x is radius, y is height; z is unused
        For a parallelipiped, x is width, y is depth, z is height

        '''
        self.x = x
        self.y = y
        self.z = z


    def rotateX3D(self, vec, angleX):
        '''Rotate vec around the X axis by angleX radians.
        '''
        rot = np.array([
            [1, 0, 0],
            [0, np.cos(angleX), -np.sin(angleX)],
            [0, np.sin(angleX), np.cos(angleX)],
        ])

        return (rot @ vec)



    def sphere(self):
        '''Simulate as spherical coordinates.
        '''
        r = np.random.uniform(0, self.x)
        theta = np.random.uniform(0, np.pi)
        phi = np.random.uniform(0, 2 * np.pi)

        x = r * np.sin(theta) * np.cos(phi)
        y = r * np.sin(theta) * np.sin(phi)
        z = r * np.cos(theta)

        return [x, y, z]


    def cylinder(self, angleX=0, angleY=0, angleZ=0):
        '''Simulate as cylindrical coordinates.

        Cylinder is horizontal on the x axis
        => self.x is max radius
        => self.y is max height
        '''
        r = np.random.uniform(0, self.x)

        theta = np.random.uniform(0, 2 * np.pi)
        x = r * np.cos(theta)
        y = r * np.sin(theta)
        z = np.random.uniform(-self.y, self.y)

        return [x, y, z]




class Noise:
    '''Add noise to simulated PEPT data.
    '''

    def __init__(self, trajectory, xMax, yMax, zMax):
        '''Trajectory row: [time, X, Y, Z]
        '''
        self.trajectory = trajectory
        self.xMax = xMax
        self.yMax = yMax
        self.zMax = zMax


    # Better to use addNoiseToPEPT. Add noise to PEPT screen projection, rather
    # than to the actual trajectory


    def create_trajectory_noise(self, numberOfPoints):
        '''Generate random X, Y, Z coordinates for noise points

        '''
        xNoise = np.random.uniform(0, self.xMax, numberOfPoints)
        yNoise = np.random.uniform(0, self.yMax, numberOfPoints)
        zNoise = np.random.uniform(0, self.zMax, numberOfPoints)

        # Generate times for noise points between the start time and end time
        # of given trajectory
        timeNoise = np.random.uniform(
            self.trajectory[0][0],
            self.trajectory[-1][0],
            numberOfPoints,
        )
        timeNoise = np.sort(timeNoise)

        self.noise = np.stack((timeNoise, xNoise, yNoise, zNoise), axis=1)
        return self.noise


    def get_trajectory_with_noise(self, noiseRatio):
        '''Get trajectory with noise.
        '''

        self.numberOfNoisePoints = int(len(self.trajectory) * noiseRatio)
        self.createTrajectoryNoise(self.numberOfNoisePoints)

        # Find indices at which the noise should be inserted to maintain time
        # order of trajectory
        insertionIndices = np.searchsorted(
            self.trajectory[:, 0],
            self.noise[:, 0],
            side='left'
        )

        self.trajectoryWithNoise = np.insert(
            self.trajectory,
            insertionIndices,
            self.noise,
            axis=0,
        )

        return self.trajectoryWithNoise


    def add_noise_to_pept(self, pept_data, number_of_noise_points):
        '''PEPTdata row: [time, X1, Y1, X2, Y2]
        Generate random (X, Y) pairs coordinates for noise points in PEPTdata
        '''

        x1Noise = np.random.uniform(0, self.xMax, number_of_noise_points)
        y1Noise = np.random.uniform(0, self.yMax, number_of_noise_points)

        x2Noise = np.random.uniform(0, self.xMax, number_of_noise_points)
        y2Noise = np.random.uniform(0, self.yMax, number_of_noise_points)

        # Generate times for noise lines between the start time and end time of
        # given trajectory
        time_noise = np.random.uniform(
            self.trajectory[0][0],
            self.trajectory[-1][0],
            number_of_noise_points
        )
        time_noise = np.sort(time_noise)

        self.pept_noise = np.stack(
            (time_noise, x1Noise, y1Noise, x2Noise, y2Noise),
            axis=1,
        )
        insertion_indices = np.searchsorted(
            pept_data[:, 0],
            self.pept_noise[:, 0],
            side='left',
        )
        self.pept_data_with_noise = np.insert(
            pept_data,
            insertion_indices,
            self.pept_noise,
            axis=0,
        )

        return self.pept_data_with_noise


    def add_spread_to_pept(self, pept_data, max_spread, depth):
        '''PEPTdata row: [time, X1, Y1, X2, Y2]
        '''

        pept_data_copy = np.copy(pept_data)

        # Add positional spread to X1, Y1, X2, Y2
        spread = np.random.uniform(-max_spread, max_spread,
                                   (len(pept_data), 4))
        pept_data_copy[:, 1:5] = pept_data_copy[:, 1:5] + spread

        # Add angular spread to X1, Y1, X2, Y2
        # x1_angular_spread = x1 - (x2 - x1) / sep * depth * alpha
        alpha = np.random.uniform(0, 1, (len(pept_data), 4))

        self.pept_data_with_spread = np.copy(pept_data_copy)
        self.pept_data_with_spread[:, 1] = pept_data_copy[:, 1] - \
            (pept_data_copy[:, 3] - pept_data_copy[:, 1]) / \
            self.zMax * alpha[:, 0] * depth

        self.pept_data_with_spread[:, 3] = pept_data_copy[:, 3] + \
            (pept_data_copy[:, 3] - pept_data_copy[:, 1]) / \
            self.zMax * alpha[:, 1] * depth

        self.pept_data_with_spread[:, 2] = pept_data_copy[:, 2] - \
            (pept_data_copy[:, 4] - pept_data_copy[:, 2]) / \
            self.zMax * alpha[:, 2] * depth
        self.pept_data_with_spread[:, 4] = pept_data_copy[:, 4] + \
            (pept_data_copy[:, 4] - pept_data_copy[:, 2]) / \
            self.zMax * alpha[:, 3] * depth

        return self.pept_data_with_spread




[docs]class Simulator: '''Simulate PEPT data. '''
[docs] def __init__( self, trajectory, sampling_times, shape_function, separation = 712, decay_energy = 0.6335, Zeff = 7.22, Aeff = 13, x_max = 500, y_max = 500 ): '''Simulator class constructor. ''' # Trajectory row: [time, X, Y, Z] self.trajectory = trajectory # Timepoints at which positrons are emitted self.sampling_times = sampling_times # Separation between PEPT screens self.separation = separation # Function which returns an [x, y, z] positions around a centre self.shape_function = shape_function # Beta+ endpoint/decay energy of tracer, in MeV. F-18 has a Beta+ decay # energy of 0.6335 MeV self.decay_energy = decay_energy # Effective atomic weight Aeff and atomic number Zeff. For water, # Aeff = 13, Zeff = 7.22 self.Aeff = Aeff self.Zeff = Zeff # PEPT screens sizes self.x_max = x_max self.y_max = y_max
[docs] def simulate(self): # Indices of trajectory times closest to sampling times location_indices = np.searchsorted( self.trajectory[:, 0], self.sampling_times, side='left', ) number_of_samples = len(location_indices) # PEPTdata row: [time, X1, Y1, X2, Y2] pept_data = [] # For every position on the trajectory corresponding to a samplingTime, # generate a PEPTdata row for i in tqdm(range(0, number_of_samples)): # particle index in the trajectory for ray tracing particle_index = location_indices[i] # particleIndex for insertion could be the last one if particle_index >= len(self.trajectory): particle_index = len(self.trajectory) - 1 # The positron emission point within the particle [xshape, yshape, zshape] = self.shape_function() xp = self.trajectory[particle_index][1] + xshape yp = self.trajectory[particle_index][2] + yshape zp = self.trajectory[particle_index][3] + zshape # Calculate incident/kinetic energy Ei of positron from # distribution approximated as gaussian # mean mu = self.decay_energy / 2 # 99.7% of data will lie between [0, decayEnergy] sigma = mu / 3 Ei = np.random.normal(mu, sigma) # Find positron annihilation point, corresponding to gamma # radiation emission using Palmer et al., 1992 equations b1 = 4.569 * self.Aeff / self.Zeff**1.209 b2 = 1 / (2.873 - 0.02309 * self.Zeff) Rex = b1 * Ei * Ei / (b2 + Ei) # Annihilation point [xa, ya, za] from positron emission point [xa, ya, za] = np.random.normal(0, Rex / 2, 3) # The gamma ray emission point will therefore be # positron emission point + positron annihilation point xp += xa yp += ya zp += za # Try at most 100 random phi and theta angles until the ray falls # within the PEPT screens ray_try = 0 while ray_try < 100: phi = np.random.uniform(0, np.pi) theta = np.random.uniform(0, np.pi) if phi == np.pi / 2 or theta == np.pi / 2: continue x1 = xp - zp * np.tan(phi) x2 = xp + (self.separation - zp) * np.tan(phi) y1 = yp - zp / np.cos(phi) * np.tan(theta) y2 = yp + (self.separation - zp) / np.cos(phi) * np.tan(theta) # Check the rays fell within the PEPT screens if 0 < x1 < self.x_max and 0 < x2 < self.x_max: if 0 < y1 < self.y_max and 0 < y2 < self.y_max: pept_data.append(np.array([ self.sampling_times[i], x1, y1, x2, y2 ])) break ray_try += 1 self.pept_data = np.array(pept_data) return self.pept_data
[docs] def add_noise(self, noise_ratio): noiser = Noise( self.trajectory, self.x_max, self.y_max, self.separation ) number_of_noise_points = int(noise_ratio * len(self.sampling_times)) self.pept_data_with_noise = noiser.add_noise_to_pept( self.pept_data, number_of_noise_points )
[docs] def add_spread(self, max_spread = 4, depth = 16): noiser = Noise( self.trajectory, self.x_max, self.y_max, self.separation ) self.pept_data_with_noise = noiser.add_spread_to_pept( self.pept_data, max_spread, depth )
[docs] def add_noise_and_spread(self, noise_ratio, max_spread = 4, depth = 16): noiser = Noise( self.trajectory, self.x_max, self.y_max, self.separation ) number_of_noise_points = int(noise_ratio * len(self.sampling_times)) self.pept_data_with_noise = noiser.add_noise_to_pept( self.pept_data, number_of_noise_points ) self.pept_data_with_noise = noiser.add_spread_to_pept( self.pept_data_with_noise, max_spread, depth )
[docs] def change_trajectory(self, new_trajectory): self.trajectory = new_trajectory
[docs] def change_sampling_times(self, new_sampling_times): self.sampling_times = new_sampling_times
[docs] def change_shape(self, new_shape_function): self.shape_function = new_shape_function
[docs] def write_csv(self, fname): np.savetxt(fname, self.pept_data, delimiter = ' ', newline = '\n ')
[docs] def write_noise_csv(self, fname): np.savetxt(fname, self.pept_data_with_noise, delimiter = ' ', newline = '\n ')