[3be3a80] | 1 | """ |
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| 2 | This object is a small tool to allow user to quickly |
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| 3 | determine the variance in q from the |
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| 4 | instrumental parameters. |
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| 5 | """ |
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| 6 | from instrument import Sample |
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| 7 | from instrument import Detector |
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| 8 | from instrument import Neutron |
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| 9 | from instrument import Aperture |
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| 10 | # import math stuffs |
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| 11 | from math import pi |
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| 12 | from math import sqrt |
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[be6e99a] | 13 | import math |
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| 14 | import scipy |
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[3be3a80] | 15 | import numpy |
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| 16 | |
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| 17 | #Plank's constant in cgs unit |
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| 18 | _PLANK_H = 6.62606896E-27 |
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| 19 | #Gravitational acc. in cgs unit |
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| 20 | _GRAVITY = 981.0 |
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| 21 | |
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| 22 | class ResolutionCalculator(object): |
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| 23 | """ |
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| 24 | compute resolution in 2D |
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| 25 | """ |
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| 26 | def __init__(self): |
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| 27 | |
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| 28 | # wavelength |
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| 29 | self.wave = Neutron() |
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| 30 | # sample |
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| 31 | self.sample = Sample() |
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| 32 | # aperture |
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| 33 | self.aperture = Aperture() |
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| 34 | # detector |
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| 35 | self.detector = Detector() |
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| 36 | # 2d image of the resolution |
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| 37 | self.image = [] |
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| 38 | # resolutions |
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[be6e99a] | 39 | # lamda in r-direction |
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| 40 | self.sigma_lamda = 0 |
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| 41 | # x-dir (no lamda) |
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[3be3a80] | 42 | self.sigma_1 = 0 |
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[be6e99a] | 43 | #y-dir (no lamda) |
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[3be3a80] | 44 | self.sigma_2 = 0 |
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[be6e99a] | 45 | # 1D total |
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[3be3a80] | 46 | self.sigma_1d = 0 |
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| 47 | # q min and max |
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| 48 | self.qx_min = -0.3 |
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| 49 | self.qx_max = 0.3 |
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| 50 | self.qy_min = -0.3 |
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| 51 | self.qy_max = 0.3 |
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| 52 | # q min and max of the detector |
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| 53 | self.detector_qx_min = -0.3 |
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| 54 | self.detector_qx_max = 0.3 |
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| 55 | self.detector_qy_min = -0.3 |
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| 56 | self.detector_qy_max = 0.3 |
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| 57 | # plots |
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| 58 | self.plot = None |
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| 59 | # instrumental params defaults |
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| 60 | self.mass = 0 |
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| 61 | self.intensity = 0 |
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| 62 | self.wavelength = 0 |
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| 63 | self.wavelength_spread = 0 |
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| 64 | self.source_aperture_size = [] |
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| 65 | self.source2sample_distance = [] |
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| 66 | self.sample2sample_distance = [] |
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| 67 | self.sample_aperture_size = [] |
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| 68 | self.sample2detector_distance = [] |
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| 69 | self.detector_pix_size = [] |
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| 70 | self.detector_size = [] |
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| 71 | # get all the values of the instrumental parameters |
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| 72 | self.get_all_instrument_params() |
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| 73 | |
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| 74 | def compute_and_plot(self, qx_value, qy_value, qx_min, qx_max, |
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[be6e99a] | 75 | qy_min, qy_max, coord = 'cartesian'): |
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[3be3a80] | 76 | """ |
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| 77 | Compute the resolution |
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| 78 | : qx_value: x component of q |
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| 79 | : qy_value: y component of q |
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| 80 | """ |
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| 81 | # compute 2d resolution |
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[be6e99a] | 82 | _, _, sigma_1, sigma_2, sigma_r = \ |
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| 83 | self.compute(qx_value, qy_value, coord) |
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[3be3a80] | 84 | # make image |
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[be6e99a] | 85 | image = self.get_image(qx_value, qy_value, sigma_1, sigma_2, sigma_r, |
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[3be3a80] | 86 | qx_min, qx_max, qy_min, qy_max, coord) |
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| 87 | # plot image |
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| 88 | return self.plot_image(image) |
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| 89 | |
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[be6e99a] | 90 | def compute(self, qx_value, qy_value, coord = 'cartesian'): |
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[3be3a80] | 91 | """ |
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| 92 | Compute the Q resoltuion in || and + direction of 2D |
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| 93 | : qx_value: x component of q |
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| 94 | : qy_value: y component of q |
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| 95 | """ |
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[be6e99a] | 96 | coord = 'cartesian' |
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[3be3a80] | 97 | # make sure to update all the variables need. |
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| 98 | self.get_all_instrument_params() |
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| 99 | # wavelength |
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| 100 | lamb = self.wavelength |
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| 101 | |
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| 102 | if lamb == 0: |
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| 103 | msg = "Can't compute the resolution: the wavelength is zero..." |
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| 104 | raise RuntimeError, msg |
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| 105 | # wavelength spread |
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| 106 | lamb_spread = self.wavelength_spread |
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| 107 | # Find polar values |
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| 108 | qr_value, phi = self._get_polar_value(qx_value, qy_value) |
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| 109 | # vacuum wave transfer |
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| 110 | knot = 2*pi/lamb |
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| 111 | # scattering angle theta; always true for plane detector |
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| 112 | # aligned vertically to the ko direction |
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| 113 | if qr_value > knot: |
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| 114 | theta = pi/2 |
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| 115 | else: |
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[be6e99a] | 116 | theta = math.asin(qr_value/knot) |
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[3be3a80] | 117 | # source aperture size |
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| 118 | rone = self.source_aperture_size |
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| 119 | # sample aperture size |
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| 120 | rtwo = self.sample_aperture_size |
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| 121 | # detector pixel size |
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| 122 | rthree = self.detector_pix_size |
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| 123 | # source to sample(aperture) distance |
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| 124 | l_ssa = self.source2sample_distance[0] |
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| 125 | # sample(aperture) to detector distance |
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| 126 | l_sad = self.sample2detector_distance[0] |
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| 127 | # sample (aperture) to sample distance |
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| 128 | l_sas = self.sample2sample_distance[0] |
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| 129 | # source to sample distance |
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| 130 | l_one = l_ssa + l_sas |
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| 131 | # sample to detector distance |
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| 132 | l_two = l_sad - l_sas |
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| 133 | |
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| 134 | # Sample offset correction for l_one and Lp on variance calculation |
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| 135 | l1_cor = (l_ssa * l_two) / (l_sas + l_two) |
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| 136 | lp_cor = (l_ssa * l_two) / (l_one + l_two) |
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| 137 | # the radial distance to the pixel from the center of the detector |
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[be6e99a] | 138 | radius = math.tan(theta)*l_two |
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[3be3a80] | 139 | #Lp = l_one*l_two/(l_one+l_two) |
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| 140 | # default polar coordinate |
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| 141 | comp1 = 'radial' |
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| 142 | comp2 = 'phi' |
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| 143 | # in the case of the cartesian coordinate |
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| 144 | if coord == 'cartesian': |
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| 145 | comp1 = 'x' |
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| 146 | comp2 = 'y' |
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| 147 | |
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| 148 | # sigma in the radial/x direction |
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| 149 | # for source aperture |
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| 150 | sigma_1 = self.get_variance(rone, l1_cor, phi, comp1) |
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| 151 | # for sample apperture |
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| 152 | sigma_1 += self.get_variance(rtwo, lp_cor, phi, comp1) |
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| 153 | # for detector pix |
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| 154 | sigma_1 += self.get_variance(rthree, l_two, phi, comp1) |
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| 155 | # for gravity term |
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| 156 | sigma_1 += self.get_variance_gravity(l_ssa, l_sad, lamb, lamb_spread, |
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| 157 | phi, comp1, 'on') |
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| 158 | # for wavelength spread |
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| 159 | # reserve for 1d calculation |
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| 160 | sigma_wave_1 = self.get_variance_wave(radius, l_two, lamb_spread, |
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[be6e99a] | 161 | phi, 'radial', 'on') |
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[3be3a80] | 162 | # for 1d |
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| 163 | variance_1d_1 = sigma_1/2 +sigma_wave_1 |
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| 164 | # normalize |
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| 165 | variance_1d_1 = knot*knot*variance_1d_1/12 |
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| 166 | |
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| 167 | # for 2d |
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[be6e99a] | 168 | #sigma_1 += sigma_wave_1 |
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[3be3a80] | 169 | # normalize |
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| 170 | sigma_1 = knot*sqrt(sigma_1/12) |
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[be6e99a] | 171 | sigma_r = knot*sqrt(sigma_wave_1/12) |
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[3be3a80] | 172 | # sigma in the phi/y direction |
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| 173 | # for source apperture |
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| 174 | sigma_2 = self.get_variance(rone, l1_cor, phi, comp2) |
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[be6e99a] | 175 | |
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[3be3a80] | 176 | # for sample apperture |
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| 177 | sigma_2 += self.get_variance(rtwo, lp_cor, phi, comp2) |
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[be6e99a] | 178 | |
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[3be3a80] | 179 | # for detector pix |
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| 180 | sigma_2 += self.get_variance(rthree, l_two, phi, comp2) |
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[be6e99a] | 181 | |
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[3be3a80] | 182 | # for gravity term |
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| 183 | sigma_2 += self.get_variance_gravity(l_ssa, l_sad, lamb, lamb_spread, |
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| 184 | phi, comp2, 'on') |
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[be6e99a] | 185 | |
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| 186 | |
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[3be3a80] | 187 | # for wavelength spread |
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| 188 | # reserve for 1d calculation |
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| 189 | sigma_wave_2 = self.get_variance_wave(radius, l_two, lamb_spread, |
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[be6e99a] | 190 | phi, 'phi', 'on') |
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[3be3a80] | 191 | # for 1d |
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| 192 | variance_1d_2 = sigma_2/2 +sigma_wave_2 |
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| 193 | # normalize |
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| 194 | variance_1d_2 = knot*knot*variance_1d_2/12 |
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| 195 | |
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| 196 | # for 2d |
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[be6e99a] | 197 | #sigma_2 = knot*sqrt(sigma_2/12) |
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| 198 | #sigma_2 += sigma_wave_2 |
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[3be3a80] | 199 | # normalize |
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| 200 | sigma_2 = knot*sqrt(sigma_2/12) |
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| 201 | |
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| 202 | # set sigmas |
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| 203 | self.sigma_1 = sigma_1 |
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[be6e99a] | 204 | self.sigma_lamd = sigma_r |
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[3be3a80] | 205 | self.sigma_2 = sigma_2 |
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| 206 | |
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| 207 | self.sigma_1d = sqrt(variance_1d_1 + variance_1d_2) |
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[be6e99a] | 208 | return qr_value, phi, sigma_1, sigma_2, sigma_r |
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[3be3a80] | 209 | |
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[be6e99a] | 210 | def get_image(self, qx_value, qy_value, sigma_1, sigma_2, sigma_r, |
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| 211 | qx_min, qx_max, qy_min, qy_max, coord = 'cartesian'): |
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[3be3a80] | 212 | """ |
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| 213 | Get the resolution in polar coordinate ready to plot |
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| 214 | : qx_value: qx_value value |
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| 215 | : qy_value: qy_value value |
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| 216 | : sigma_1: variance in r direction |
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| 217 | : sigma_2: variance in phi direction |
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| 218 | : coord: coordinate system of image, 'polar' or 'cartesian' |
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| 219 | """ |
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| 220 | # Get qx_max and qy_max... |
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| 221 | output = self._get_detector_qxqy_pixels() |
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| 222 | # Set qx_value/qy_value min/max |
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| 223 | #qx_min = self.qx_min |
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| 224 | #qx_max = self.qx_max |
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| 225 | #qy_min = self.qy_min |
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| 226 | #qy_max = self.qy_max |
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| 227 | qr_value, phi = self._get_polar_value(qx_value, qy_value) |
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[be6e99a] | 228 | |
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[3be3a80] | 229 | # Check whether the q value is within the detector range |
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| 230 | msg = "Invalid input: Q value out of the detector range..." |
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| 231 | if qx_min < self.qx_min: |
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| 232 | self.qx_min = qx_min |
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| 233 | #raise ValueError, msg |
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| 234 | if qx_max > self.qx_max: |
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| 235 | self.qx_max = qx_max |
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| 236 | #raise ValueError, msg |
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| 237 | if qy_min < self.qy_min: |
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| 238 | self.qy_min = qy_min |
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| 239 | #raise ValueError, msg |
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| 240 | if qy_max > self.qy_max: |
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| 241 | self.qy_max = qy_max |
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| 242 | #raise ValueError, msg |
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| 243 | |
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| 244 | # Make an empty graph in the detector scale |
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| 245 | dx_size = (self.qx_max - self.qx_min) / (1000 - 1) |
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| 246 | dy_size = (self.qy_max - self.qy_min) / (1000 - 1) |
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| 247 | x_val = numpy.arange(self.qx_min, self.qx_max, dx_size) |
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| 248 | y_val = numpy.arange(self.qy_max, self.qy_min, -dy_size) |
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| 249 | q_1, q_2 = numpy.meshgrid(x_val, y_val) |
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[be6e99a] | 250 | #q_phi = numpy.arctan(q_1,q_2) |
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[3be3a80] | 251 | # check whether polar or cartesian |
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| 252 | if coord == 'polar': |
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[be6e99a] | 253 | # Find polar values |
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| 254 | qr_value, phi = self._get_polar_value(qx_value, qy_value) |
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[3be3a80] | 255 | q_1, q_2 = self._rotate_z(q_1, q_2, phi) |
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| 256 | qc_1 = qr_value |
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| 257 | qc_2 = 0.0 |
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[be6e99a] | 258 | # Calculate the 2D Gaussian distribution image |
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| 259 | image = self._gaussian2d_polar(q_1, q_2, qc_1, qc_2, |
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| 260 | sigma_1, sigma_2, sigma_r) |
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[3be3a80] | 261 | else: |
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| 262 | # catesian coordinate |
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| 263 | # qx_center |
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| 264 | qc_1 = qx_value |
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| 265 | # qy_center |
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| 266 | qc_2 = qy_value |
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| 267 | |
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[be6e99a] | 268 | # Calculate the 2D Gaussian distribution image |
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| 269 | image = self._gaussian2d(q_1, q_2, qc_1, qc_2, |
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| 270 | sigma_1, sigma_2, sigma_r) |
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[3be3a80] | 271 | # Add it if there are more than one inputs. |
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| 272 | if len(self.image) > 0: |
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| 273 | self.image += image |
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| 274 | else: |
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| 275 | self.image = image |
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| 276 | |
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| 277 | return self.image |
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| 278 | |
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| 279 | def plot_image(self, image): |
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| 280 | """ |
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| 281 | Plot image using pyplot |
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| 282 | : image: 2d resolution image |
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| 283 | |
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| 284 | : return plt: pylab object |
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| 285 | """ |
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| 286 | import matplotlib.pyplot as plt |
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| 287 | |
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| 288 | self.plot = plt |
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| 289 | plt.xlabel('$\\rm{Q}_{x} [A^{-1}]$') |
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| 290 | plt.ylabel('$\\rm{Q}_{y} [A^{-1}]$') |
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| 291 | # Max value of the image |
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| 292 | max = numpy.max(image) |
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| 293 | # Image |
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| 294 | im = plt.imshow(image, |
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| 295 | extent = [self.qx_min, self.qx_max, self.qy_min, self.qy_max]) |
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| 296 | |
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| 297 | # bilinear interpolation to make it smoother |
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| 298 | im.set_interpolation('bilinear') |
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| 299 | |
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| 300 | return plt |
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| 301 | |
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| 302 | def reset_image(self): |
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| 303 | """ |
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| 304 | Reset image to default (=[]) |
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| 305 | """ |
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| 306 | self.image = [] |
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| 307 | |
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| 308 | def get_variance(self, size = [], distance = 0, phi = 0, comp = 'radial'): |
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| 309 | """ |
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| 310 | Get the variance when the slit/pinhole size is given |
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| 311 | : size: list that can be one(diameter for circular) |
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| 312 | or two components(lengths for rectangular) |
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| 313 | : distance: [z, x] where z along the incident beam, x // qx_value |
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| 314 | : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial' |
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| 315 | |
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| 316 | : return variance: sigma^2 |
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| 317 | """ |
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| 318 | # check the length of size (list) |
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| 319 | len_size = len(size) |
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| 320 | |
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| 321 | # define sigma component direction |
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| 322 | if comp == 'radial': |
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[be6e99a] | 323 | phi_x = math.cos(phi) |
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| 324 | phi_y = math.sin(phi) |
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[3be3a80] | 325 | elif comp == 'phi': |
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[be6e99a] | 326 | phi_x = math.sin(phi) |
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| 327 | phi_y = math.cos(phi) |
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[3be3a80] | 328 | elif comp == 'x': |
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| 329 | phi_x = 1 |
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| 330 | phi_y = 0 |
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| 331 | elif comp == 'y': |
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| 332 | phi_x = 0 |
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| 333 | phi_y = 1 |
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| 334 | else: |
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| 335 | phi_x = 0 |
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| 336 | phi_y = 0 |
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| 337 | # calculate each component |
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| 338 | # for pinhole w/ radius = size[0]/2 |
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| 339 | if len_size == 1: |
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| 340 | x_comp = (0.5 * size[0]) * sqrt(3) |
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| 341 | y_comp = 0 |
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| 342 | # for rectangular slit |
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| 343 | elif len_size == 2: |
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| 344 | x_comp = size[0] * phi_x |
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| 345 | y_comp = size[1] * phi_y |
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| 346 | # otherwise |
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| 347 | else: |
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| 348 | raise ValueError, " Improper input..." |
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| 349 | # get them squared |
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| 350 | sigma = x_comp * x_comp |
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| 351 | sigma += y_comp * y_comp |
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| 352 | # normalize by distance |
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| 353 | sigma /= (distance * distance) |
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| 354 | |
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| 355 | return sigma |
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| 356 | |
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| 357 | def get_variance_wave(self, radius, distance, spread, phi, |
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| 358 | comp = 'radial', switch = 'on'): |
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| 359 | """ |
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| 360 | Get the variance when the wavelength spread is given |
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| 361 | |
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| 362 | : radius: the radial distance from the beam center to the pix of q |
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| 363 | : distance: sample to detector distance |
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| 364 | : spread: wavelength spread (ratio) |
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| 365 | : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial' |
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| 366 | |
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| 367 | : return variance: sigma^2 |
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| 368 | """ |
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| 369 | if switch.lower() == 'off': |
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| 370 | return 0 |
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| 371 | # check the singular point |
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| 372 | if distance == 0 or comp == 'phi': |
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| 373 | return 0 |
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| 374 | else: |
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| 375 | # calculate sigma^2 |
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[be6e99a] | 376 | sigma = 2 * math.pow(radius/distance*spread, 2) |
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[3be3a80] | 377 | if comp == 'x': |
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[be6e99a] | 378 | sigma *= (math.cos(phi)*math.cos(phi)) |
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[3be3a80] | 379 | elif comp == 'y': |
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[be6e99a] | 380 | sigma *= (math.sin(phi)*math.sin(phi)) |
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[3be3a80] | 381 | else: |
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| 382 | sigma *= 1 |
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| 383 | |
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| 384 | return sigma |
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| 385 | |
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| 386 | def get_variance_gravity(self, s_distance, d_distance, wavelength, spread, |
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| 387 | phi, comp = 'radial', switch = 'on'): |
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| 388 | """ |
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| 389 | Get the variance from gravity when the wavelength spread is given |
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| 390 | |
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| 391 | : s_distance: source to sample distance |
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| 392 | : d_distance: sample to detector distance |
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| 393 | : wavelength: wavelength |
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| 394 | : spread: wavelength spread (ratio) |
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| 395 | : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial' |
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| 396 | |
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| 397 | : return variance: sigma^2 |
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| 398 | """ |
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| 399 | if switch.lower() == 'off': |
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| 400 | return 0 |
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[19637b1] | 401 | if self.mass == 0.0: |
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| 402 | return 0 |
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[3be3a80] | 403 | # check the singular point |
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| 404 | if d_distance == 0 or comp == 'x': |
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| 405 | return 0 |
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| 406 | else: |
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| 407 | # neutron mass in cgs unit |
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| 408 | self.mass = self.get_neutron_mass() |
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| 409 | # plank constant in cgs unit |
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| 410 | h_constant = _PLANK_H |
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| 411 | # gravity in cgs unit |
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| 412 | gravy = _GRAVITY |
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| 413 | # m/h |
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| 414 | m_over_h = self.mass /h_constant |
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| 415 | # A value |
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| 416 | a_value = d_distance * (s_distance + d_distance) |
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[be6e99a] | 417 | a_value *= math.pow(m_over_h / 2, 2) |
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[3be3a80] | 418 | a_value *= gravy |
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| 419 | # unit correction (1/cm to 1/A) for A and d_distance below |
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| 420 | a_value *= 1.0E-16 |
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| 421 | |
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| 422 | # calculate sigma^2 |
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[be6e99a] | 423 | sigma = math.pow(a_value / d_distance, 2) |
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| 424 | sigma *= math.pow(wavelength, 4) |
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| 425 | sigma *= math.pow(spread, 2) |
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[3be3a80] | 426 | sigma *= 8 |
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| 427 | |
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| 428 | # only for the polar coordinate |
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[be6e99a] | 429 | #if comp == 'radial': |
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| 430 | # sigma *= (math.sin(phi) * math.sin(phi)) |
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| 431 | #elif comp == 'phi': |
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| 432 | # sigma *= (math.cos(phi) * math.cos(phi)) |
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[3be3a80] | 433 | |
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| 434 | return sigma |
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| 435 | |
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| 436 | def get_intensity(self): |
---|
| 437 | """ |
---|
| 438 | Get intensity |
---|
| 439 | """ |
---|
| 440 | return self.wave.intensity |
---|
| 441 | |
---|
| 442 | def get_wavelength(self): |
---|
| 443 | """ |
---|
| 444 | Get wavelength |
---|
| 445 | """ |
---|
| 446 | return self.wave.wavelength |
---|
| 447 | |
---|
| 448 | def get_wavelength_spread(self): |
---|
| 449 | """ |
---|
| 450 | Get wavelength spread |
---|
| 451 | """ |
---|
| 452 | return self.wave.wavelength_spread |
---|
| 453 | |
---|
| 454 | def get_neutron_mass(self): |
---|
| 455 | """ |
---|
| 456 | Get Neutron mass |
---|
| 457 | """ |
---|
| 458 | return self.wave.mass |
---|
| 459 | |
---|
| 460 | def get_source_aperture_size(self): |
---|
| 461 | """ |
---|
| 462 | Get source aperture size |
---|
| 463 | """ |
---|
| 464 | return self.aperture.source_size |
---|
| 465 | |
---|
| 466 | def get_sample_aperture_size(self): |
---|
| 467 | """ |
---|
| 468 | Get sample aperture size |
---|
| 469 | """ |
---|
| 470 | return self.aperture.sample_size |
---|
| 471 | |
---|
| 472 | def get_detector_pix_size(self): |
---|
| 473 | """ |
---|
| 474 | Get detector pixel size |
---|
| 475 | """ |
---|
| 476 | return self.detector.pix_size |
---|
| 477 | |
---|
| 478 | def get_detector_size(self): |
---|
| 479 | """ |
---|
| 480 | Get detector size |
---|
| 481 | """ |
---|
| 482 | return self.detector.size |
---|
| 483 | |
---|
| 484 | def get_source2sample_distance(self): |
---|
| 485 | """ |
---|
| 486 | Get detector source2sample_distance |
---|
| 487 | """ |
---|
| 488 | return self.aperture.sample_distance |
---|
| 489 | |
---|
| 490 | def get_sample2sample_distance(self): |
---|
| 491 | """ |
---|
| 492 | Get detector sampleslitsample_distance |
---|
| 493 | """ |
---|
| 494 | return self.sample.distance |
---|
| 495 | |
---|
| 496 | def get_sample2detector_distance(self): |
---|
| 497 | """ |
---|
| 498 | Get detector sample2detector_distance |
---|
| 499 | """ |
---|
| 500 | return self.detector.distance |
---|
| 501 | |
---|
| 502 | def set_intensity(self, intensity): |
---|
| 503 | """ |
---|
| 504 | Set intensity |
---|
| 505 | """ |
---|
| 506 | self.wave.set_intensity(intensity) |
---|
| 507 | |
---|
| 508 | def set_wavelength(self, wavelength): |
---|
| 509 | """ |
---|
| 510 | Set wavelength |
---|
| 511 | """ |
---|
| 512 | self.wave.set_wavelength(wavelength) |
---|
| 513 | |
---|
| 514 | def set_wavelength_spread(self, wavelength_spread): |
---|
| 515 | """ |
---|
| 516 | Set wavelength spread |
---|
| 517 | """ |
---|
| 518 | self.wave.set_wavelength_spread(wavelength_spread) |
---|
| 519 | |
---|
| 520 | def set_source_aperture_size(self, size): |
---|
| 521 | """ |
---|
| 522 | Set source aperture size |
---|
| 523 | |
---|
| 524 | : param size: [dia_value] or [x_value, y_value] |
---|
| 525 | """ |
---|
| 526 | if len(size) < 1 or len(size) > 2: |
---|
| 527 | raise RuntimeError, "The length of the size must be one or two." |
---|
| 528 | self.aperture.set_source_size(size) |
---|
| 529 | |
---|
| 530 | def set_neutron_mass(self, mass): |
---|
| 531 | """ |
---|
| 532 | Set Neutron mass |
---|
| 533 | """ |
---|
| 534 | self.wave.set_mass(mass) |
---|
[be6e99a] | 535 | self.mass = mass |
---|
[3be3a80] | 536 | |
---|
| 537 | def set_sample_aperture_size(self, size): |
---|
| 538 | """ |
---|
| 539 | Set sample aperture size |
---|
| 540 | |
---|
| 541 | : param size: [dia_value] or [xheight_value, yheight_value] |
---|
| 542 | """ |
---|
| 543 | if len(size) < 1 or len(size) > 2: |
---|
| 544 | raise RuntimeError, "The length of the size must be one or two." |
---|
| 545 | self.aperture.set_sample_size(size) |
---|
| 546 | |
---|
| 547 | def set_detector_pix_size(self, size): |
---|
| 548 | """ |
---|
| 549 | Set detector pixel size |
---|
| 550 | """ |
---|
| 551 | self.detector.set_pix_size(size) |
---|
| 552 | |
---|
| 553 | def set_detector_size(self, size): |
---|
| 554 | """ |
---|
| 555 | Set detector size in number of pixels |
---|
| 556 | : param size: [pixel_nums] or [x_pix_num, yx_pix_num] |
---|
| 557 | """ |
---|
| 558 | self.detector.set_size(size) |
---|
| 559 | |
---|
| 560 | def set_source2sample_distance(self, distance): |
---|
| 561 | """ |
---|
| 562 | Set detector source2sample_distance |
---|
| 563 | |
---|
| 564 | : param distance: [distance, x_offset] |
---|
| 565 | """ |
---|
| 566 | if len(distance) < 1 or len(distance) > 2: |
---|
| 567 | raise RuntimeError, "The length of the size must be one or two." |
---|
| 568 | self.aperture.set_sample_distance(distance) |
---|
| 569 | |
---|
| 570 | def set_sample2sample_distance(self, distance): |
---|
| 571 | """ |
---|
| 572 | Set detector sample_slit2sample_distance |
---|
| 573 | |
---|
| 574 | : param distance: [distance, x_offset] |
---|
| 575 | """ |
---|
| 576 | if len(distance) < 1 or len(distance) > 2: |
---|
| 577 | raise RuntimeError, "The length of the size must be one or two." |
---|
| 578 | self.sample.set_distance(distance) |
---|
| 579 | |
---|
| 580 | def set_sample2detector_distance(self, distance): |
---|
| 581 | """ |
---|
| 582 | Set detector sample2detector_distance |
---|
| 583 | |
---|
| 584 | : param distance: [distance, x_offset] |
---|
| 585 | """ |
---|
| 586 | if len(distance) < 1 or len(distance) > 2: |
---|
| 587 | raise RuntimeError, "The length of the size must be one or two." |
---|
| 588 | self.detector.set_distance(distance) |
---|
| 589 | |
---|
| 590 | def get_all_instrument_params(self): |
---|
| 591 | """ |
---|
| 592 | Get all instrumental parameters |
---|
| 593 | """ |
---|
| 594 | self.intensity = self.get_intensity() |
---|
| 595 | self.wavelength = self.get_wavelength() |
---|
| 596 | self.wavelength_spread = self.get_wavelength_spread() |
---|
| 597 | self.mass = self.get_neutron_mass() |
---|
| 598 | self.source_aperture_size = self.get_source_aperture_size() |
---|
| 599 | self.sample_aperture_size = self.get_sample_aperture_size() |
---|
| 600 | self.detector_pix_size = self.get_detector_pix_size() |
---|
| 601 | self.detector_size = self.get_detector_size() |
---|
| 602 | self.source2sample_distance = self.get_source2sample_distance() |
---|
| 603 | self.sample2sample_distance = self.get_sample2sample_distance() |
---|
| 604 | self.sample2detector_distance = self.get_sample2detector_distance() |
---|
| 605 | |
---|
| 606 | |
---|
| 607 | |
---|
| 608 | def _rotate_z(self, x_value, y_value, theta= 0.0): |
---|
| 609 | """ |
---|
| 610 | Rotate x-y cordinate around z-axis by theta |
---|
| 611 | : x_value: numpy array of x values |
---|
| 612 | : y_value: numpy array of y values |
---|
| 613 | : theta: angle to rotate by in rad |
---|
| 614 | |
---|
| 615 | :return: x_prime, y-prime |
---|
| 616 | """ |
---|
| 617 | # rotate by theta |
---|
[be6e99a] | 618 | x_prime = x_value * math.cos(theta) + y_value * math.sin(theta) |
---|
| 619 | y_prime = -x_value * math.sin(theta) + y_value * math.cos(theta) |
---|
[3be3a80] | 620 | |
---|
| 621 | return x_prime, y_prime |
---|
| 622 | |
---|
[be6e99a] | 623 | def _gaussian2d(self, x_val, y_val, x0_val, y0_val, |
---|
| 624 | sigma_x, sigma_y, sigma_r): |
---|
[3be3a80] | 625 | """ |
---|
| 626 | Calculate 2D Gaussian distribution |
---|
| 627 | : x_val: x value |
---|
| 628 | : y_val: y value |
---|
| 629 | : x0_val: mean value in x-axis |
---|
| 630 | : y0_val: mean value in y-axis |
---|
| 631 | : sigma_x: variance in x-direction |
---|
| 632 | : sigma_y: variance in y-direction |
---|
| 633 | |
---|
| 634 | : return: gaussian (value) |
---|
| 635 | """ |
---|
[be6e99a] | 636 | # phi values at each points (not at the center) |
---|
| 637 | x_value = x_val - x0_val |
---|
| 638 | y_value = y_val - y0_val |
---|
| 639 | phi_i = numpy.arctan2(y_val, x_val) |
---|
| 640 | |
---|
| 641 | sin_phi = numpy.sin(phi_i) |
---|
| 642 | cos_phi = numpy.cos(phi_i) |
---|
| 643 | |
---|
| 644 | x_p = x_value * cos_phi + y_value * sin_phi |
---|
| 645 | y_p = -x_value * sin_phi + y_value * cos_phi |
---|
| 646 | |
---|
[9f5b505] | 647 | new_sig_x = sqrt(sigma_r * sigma_r / (sigma_x * sigma_x ) + 1) |
---|
| 648 | new_sig_y = sqrt(sigma_r * sigma_r / (sigma_y * sigma_y ) + 1) |
---|
| 649 | new_x = x_p * cos_phi / new_sig_x - y_p * sin_phi |
---|
[be6e99a] | 650 | new_x /= sigma_x |
---|
[9f5b505] | 651 | new_y = x_p * sin_phi / new_sig_y + y_p * cos_phi |
---|
[be6e99a] | 652 | new_y /= sigma_y |
---|
| 653 | |
---|
| 654 | nu_value = -0.5 *(new_x * new_x + new_y * new_y) |
---|
| 655 | |
---|
| 656 | gaussian = numpy.exp(nu_value) |
---|
| 657 | # normalizing factor correction |
---|
| 658 | gaussian /= gaussian.sum() |
---|
| 659 | |
---|
| 660 | return gaussian |
---|
| 661 | |
---|
| 662 | def _gaussian2d_polar(self, x_val, y_val, x0_val, y0_val, |
---|
| 663 | sigma_x, sigma_y, sigma_r): |
---|
| 664 | """ |
---|
| 665 | Calculate 2D Gaussian distribution for polar coodinate |
---|
| 666 | : x_val: x value |
---|
| 667 | : y_val: y value |
---|
| 668 | : x0_val: mean value in x-axis |
---|
| 669 | : y0_val: mean value in y-axis |
---|
| 670 | : sigma_x: variance in r-direction |
---|
| 671 | : sigma_y: variance in phi-direction |
---|
| 672 | : sigma_r: wavelength variance in r-direction |
---|
| 673 | |
---|
| 674 | : return: gaussian (value) |
---|
| 675 | """ |
---|
| 676 | sigma_x = sqrt(sigma_x * sigma_x + sigma_r * sigma_r) |
---|
[3be3a80] | 677 | # call gaussian1d |
---|
| 678 | gaussian = self._gaussian1d(x_val, x0_val, sigma_x) |
---|
| 679 | gaussian *= self._gaussian1d(y_val, y0_val, sigma_y) |
---|
| 680 | |
---|
| 681 | # normalizing factor correction |
---|
| 682 | if sigma_x != 0 and sigma_y != 0: |
---|
| 683 | gaussian *= sqrt(2 * pi) |
---|
| 684 | return gaussian |
---|
[be6e99a] | 685 | |
---|
[3be3a80] | 686 | def _gaussian1d(self, value, mean, sigma): |
---|
| 687 | """ |
---|
| 688 | Calculate 1D Gaussian distribution |
---|
| 689 | : value: value |
---|
| 690 | : mean: mean value |
---|
| 691 | : sigma: variance |
---|
| 692 | |
---|
| 693 | : return: gaussian (value) |
---|
| 694 | """ |
---|
| 695 | # default |
---|
| 696 | gaussian = 1.0 |
---|
| 697 | if sigma != 0: |
---|
| 698 | # get exponent |
---|
| 699 | nu_value = (value - mean) / sigma |
---|
| 700 | nu_value *= nu_value |
---|
| 701 | nu_value *= -0.5 |
---|
| 702 | gaussian *= numpy.exp(nu_value) |
---|
| 703 | gaussian /= sigma |
---|
| 704 | # normalize |
---|
| 705 | gaussian /= sqrt(2 * pi) |
---|
| 706 | |
---|
| 707 | return gaussian |
---|
| 708 | |
---|
| 709 | def _atan_phi(self, qy_value, qx_value): |
---|
| 710 | """ |
---|
| 711 | Find the angle phi of q on the detector plane for qx_value, qy_value given |
---|
| 712 | : qx_value: x component of q |
---|
| 713 | : qy_value: y component of q |
---|
| 714 | |
---|
| 715 | : return phi: the azimuthal angle of q on x-y plane |
---|
| 716 | """ |
---|
[be6e99a] | 717 | phi = math.atan2(qy_value, qx_value) |
---|
| 718 | return phi |
---|
[3be3a80] | 719 | # default |
---|
| 720 | phi = 0 |
---|
| 721 | # ToDo: This is misterious - sign??? |
---|
| 722 | #qy_value = -qy_value |
---|
| 723 | # Take care of the singular point |
---|
| 724 | if qx_value == 0: |
---|
| 725 | if qy_value > 0: |
---|
| 726 | phi = pi / 2 |
---|
| 727 | elif qy_value < 0: |
---|
| 728 | phi = -pi / 2 |
---|
| 729 | else: |
---|
| 730 | phi = 0 |
---|
| 731 | else: |
---|
| 732 | # the angle |
---|
[be6e99a] | 733 | phi = math.atan2(qy_value, qx_value) |
---|
[3be3a80] | 734 | |
---|
| 735 | return phi |
---|
| 736 | |
---|
| 737 | def _get_detector_qxqy_pixels(self): |
---|
| 738 | """ |
---|
| 739 | Get the pixel positions of the detector in the qx_value-qy_value space |
---|
| 740 | """ |
---|
| 741 | |
---|
| 742 | # update all param values |
---|
| 743 | self.get_all_instrument_params() |
---|
| 744 | |
---|
| 745 | # wavelength |
---|
| 746 | wavelength = self.wavelength |
---|
| 747 | # Gavity correction |
---|
| 748 | delta_y = self._get_beamcenter_drop() # in cm |
---|
| 749 | |
---|
| 750 | # detector_pix size |
---|
| 751 | detector_pix_size = self.detector_pix_size |
---|
| 752 | # Square or circular pixel |
---|
| 753 | if len(detector_pix_size) == 1: |
---|
| 754 | pix_x_size = detector_pix_size[0] |
---|
| 755 | pix_y_size = detector_pix_size[0] |
---|
| 756 | # rectangular pixel pixel |
---|
| 757 | elif len(detector_pix_size) == 2: |
---|
| 758 | pix_x_size = detector_pix_size[0] |
---|
| 759 | pix_y_size = detector_pix_size[1] |
---|
| 760 | else: |
---|
| 761 | raise ValueError, " Input value format error..." |
---|
| 762 | # Sample to detector distance = sample slit to detector |
---|
| 763 | # minus sample offset |
---|
| 764 | sample2detector_distance = self.sample2detector_distance[0] - \ |
---|
| 765 | self.sample2sample_distance[0] |
---|
| 766 | # detector offset in x-direction |
---|
| 767 | detector_offset = 0 |
---|
| 768 | try: |
---|
| 769 | detector_offset = self.sample2detector_distance[1] |
---|
| 770 | except: |
---|
| 771 | pass |
---|
| 772 | |
---|
| 773 | # detector size in [no of pix_x,no of pix_y] |
---|
| 774 | detector_pix_nums_x = self.detector_size[0] |
---|
| 775 | |
---|
| 776 | # get pix_y if it exists, otherwse take it from [0] |
---|
| 777 | try: |
---|
| 778 | detector_pix_nums_y = self.detector_size[1] |
---|
| 779 | except: |
---|
| 780 | detector_pix_nums_y = self.detector_size[0] |
---|
| 781 | |
---|
| 782 | # detector offset in pix number |
---|
| 783 | offset_x = detector_offset / pix_x_size |
---|
| 784 | offset_y = delta_y / pix_y_size |
---|
| 785 | |
---|
| 786 | # beam center position in pix number (start from 0) |
---|
| 787 | center_x, center_y = self._get_beamcenter_position(detector_pix_nums_x, |
---|
| 788 | detector_pix_nums_y, offset_x, offset_y) |
---|
| 789 | # distance [cm] from the beam center on detector plane |
---|
| 790 | detector_ind_x = numpy.arange(detector_pix_nums_x) |
---|
| 791 | detector_ind_y = numpy.arange(detector_pix_nums_y) |
---|
| 792 | |
---|
| 793 | # shif 0.5 pixel so that pix position is at the center of the pixel |
---|
| 794 | detector_ind_x = detector_ind_x + 0.5 |
---|
| 795 | detector_ind_y = detector_ind_y + 0.5 |
---|
| 796 | |
---|
| 797 | # the relative postion from the beam center |
---|
| 798 | detector_ind_x = detector_ind_x - center_x |
---|
| 799 | detector_ind_y = detector_ind_y - center_y |
---|
| 800 | |
---|
| 801 | # unit correction in cm |
---|
| 802 | detector_ind_x = detector_ind_x * pix_x_size |
---|
| 803 | detector_ind_y = detector_ind_y * pix_y_size |
---|
| 804 | |
---|
| 805 | qx_value = numpy.zeros(len(detector_ind_x)) |
---|
| 806 | qy_value = numpy.zeros(len(detector_ind_y)) |
---|
| 807 | i = 0 |
---|
| 808 | |
---|
| 809 | for indx in detector_ind_x: |
---|
| 810 | qx_value[i] = self._get_qx(indx, sample2detector_distance, wavelength) |
---|
| 811 | i += 1 |
---|
| 812 | i = 0 |
---|
| 813 | for indy in detector_ind_y: |
---|
| 814 | qy_value[i] = self._get_qx(indy, sample2detector_distance, wavelength) |
---|
| 815 | i += 1 |
---|
| 816 | |
---|
| 817 | # qx_value and qy_value values in array |
---|
| 818 | qx_value = qx_value.repeat(detector_pix_nums_y) |
---|
| 819 | qx_value = qx_value.reshape(detector_pix_nums_x, detector_pix_nums_y) |
---|
| 820 | qy_value = qy_value.repeat(detector_pix_nums_x) |
---|
| 821 | qy_value = qy_value.reshape(detector_pix_nums_y, detector_pix_nums_x) |
---|
| 822 | qy_value = qy_value.transpose() |
---|
| 823 | |
---|
| 824 | # p min and max values among the center of pixels |
---|
| 825 | self.qx_min = numpy.min(qx_value) |
---|
| 826 | self.qx_max = numpy.max(qx_value) |
---|
| 827 | self.qy_min = numpy.min(qy_value) |
---|
| 828 | self.qy_max = numpy.max(qy_value) |
---|
| 829 | |
---|
| 830 | # Appr. min and max values of the detector display limits |
---|
| 831 | # i.e., edges of the last pixels. |
---|
| 832 | self.qy_min += self._get_qx(-0.5 * pix_y_size, |
---|
| 833 | sample2detector_distance, wavelength) |
---|
| 834 | self.qy_max += self._get_qx(0.5 * pix_y_size, |
---|
| 835 | sample2detector_distance, wavelength) |
---|
| 836 | #if self.qx_min == self.qx_max: |
---|
| 837 | self.qx_min += self._get_qx(-0.5 * pix_x_size, |
---|
| 838 | sample2detector_distance, wavelength) |
---|
| 839 | self.qx_max += self._get_qx(0.5 * pix_x_size, |
---|
| 840 | sample2detector_distance, wavelength) |
---|
| 841 | # min and max values of detecter |
---|
| 842 | self.detector_qx_min = self.qx_min |
---|
| 843 | self.detector_qx_max = self.qx_max |
---|
| 844 | self.detector_qy_min = self.qy_min |
---|
| 845 | self.detector_qy_max = self.qy_max |
---|
| 846 | |
---|
| 847 | # try to set it as a Data2D otherwise pass (not required for now) |
---|
| 848 | try: |
---|
| 849 | from DataLoader.data_info import Data2D |
---|
| 850 | output = Data2D() |
---|
| 851 | inten = numpy.zeros_like(qx_value) |
---|
| 852 | output.data = inten |
---|
| 853 | output.qx_data = qx_value |
---|
| 854 | output.qy_data = qy_value |
---|
| 855 | except: |
---|
| 856 | pass |
---|
| 857 | |
---|
| 858 | return output#qx_value,qy_value |
---|
| 859 | |
---|
| 860 | def _get_qx(self, dx_size, det_dist, wavelength): |
---|
| 861 | """ |
---|
| 862 | :param dx_size: x-distance from beam center [cm] |
---|
| 863 | :param det_dist: sample to detector distance [cm] |
---|
| 864 | |
---|
| 865 | :return: q-value at the given position |
---|
| 866 | """ |
---|
| 867 | # Distance from beam center in the plane of detector |
---|
| 868 | plane_dist = dx_size |
---|
| 869 | # full scattering angle on the x-axis |
---|
[be6e99a] | 870 | theta = math.atan(plane_dist / det_dist) |
---|
| 871 | qx_value = (2.0 * pi / wavelength) * math.sin(theta) |
---|
[3be3a80] | 872 | return qx_value |
---|
| 873 | |
---|
| 874 | def _get_polar_value(self, qx_value, qy_value): |
---|
| 875 | """ |
---|
| 876 | Find qr_value and phi from qx_value and qy_value values |
---|
| 877 | |
---|
| 878 | : return qr_value, phi |
---|
| 879 | """ |
---|
| 880 | # find |q| on detector plane |
---|
| 881 | qr_value = sqrt(qx_value*qx_value + qy_value*qy_value) |
---|
| 882 | # find angle phi |
---|
| 883 | phi = self._atan_phi(qy_value, qx_value) |
---|
| 884 | |
---|
| 885 | return qr_value, phi |
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| 886 | |
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| 887 | def _get_beamcenter_position(self, num_x, num_y, offset_x, offset_y): |
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| 888 | """ |
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| 889 | :param num_x: number of pixel in x-direction |
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| 890 | :param num_y: number of pixel in y-direction |
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| 891 | :param offset: detector offset in x-direction in pix number |
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| 892 | |
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| 893 | :return: pix number; pos_x, pos_y in pix index |
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| 894 | """ |
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| 895 | # beam center position |
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| 896 | pos_x = num_x / 2 |
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| 897 | pos_y = num_y / 2 |
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| 898 | |
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| 899 | # correction for offset |
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| 900 | pos_x += offset_x |
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| 901 | # correction for gravity that is always negative |
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| 902 | pos_y -= offset_y |
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| 903 | |
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| 904 | return pos_x, pos_y |
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| 905 | |
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| 906 | def _get_beamcenter_drop(self): |
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| 907 | """ |
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| 908 | Get the beam center drop (delta y) in y diection due to gravity |
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| 909 | |
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| 910 | :return delta y: the beam center drop in cm |
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| 911 | """ |
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[19637b1] | 912 | # Check if mass == 0 (X-ray). |
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| 913 | if self.mass == 0: |
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| 914 | return 0 |
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[3be3a80] | 915 | # Covert unit from A to cm |
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| 916 | unit_cm = 1e-08 |
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| 917 | # Velocity of neutron in horizontal direction (~ actual velocity) |
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| 918 | velocity = _PLANK_H / (self.mass * self.wavelength * unit_cm) |
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| 919 | # Compute delta y |
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| 920 | delta_y = 0.5 |
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| 921 | delta_y *= _GRAVITY |
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| 922 | delta_y *= self.sample2detector_distance[0] |
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| 923 | delta_y *= (self.source2sample_distance[0] + self.sample2detector_distance[0]) |
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| 924 | delta_y /= (velocity * velocity) |
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| 925 | |
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| 926 | return delta_y |
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| 927 | |
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| 928 | |
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