1 | from sas.sascalc.data_util.calcthread import CalcThread |
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2 | from sas.sascalc.dataloader.data_info import Data1D |
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3 | from scipy.fftpack import dct |
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4 | from scipy.integrate import trapz, cumtrapz |
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5 | import numpy as np |
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6 | from time import sleep |
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7 | |
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8 | class FourierThread(CalcThread): |
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9 | def __init__(self, raw_data, extrapolated_data, bg, updatefn=None, |
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10 | completefn=None): |
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11 | CalcThread.__init__(self, updatefn=updatefn, completefn=completefn) |
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12 | self.data = raw_data |
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13 | self.background = bg |
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14 | self.extrapolation = extrapolated_data |
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15 | |
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16 | def check_if_cancelled(self): |
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17 | if self.isquit(): |
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18 | self.update("Fourier transform cancelled.") |
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19 | self.complete(transforms=None) |
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20 | return True |
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21 | return False |
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22 | |
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23 | def compute(self): |
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24 | qs = self.extrapolation.x |
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25 | iqs = self.extrapolation.y |
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26 | q = self.data.x |
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27 | background = self.background |
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28 | |
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29 | xs = np.pi*np.arange(len(qs),dtype=np.float32)/(q[1]-q[0])/len(qs) |
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30 | |
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31 | self.ready(delay=0.0) |
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32 | self.update(msg="Fourier transform in progress.") |
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33 | self.ready(delay=0.0) |
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34 | |
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35 | if self.check_if_cancelled(): return |
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36 | try: |
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37 | # ----- 1D Correlation Function ----- |
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38 | gamma1 = dct((iqs-background)*qs**2) |
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39 | Q = gamma1.max() |
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40 | gamma1 /= Q |
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41 | |
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42 | if self.check_if_cancelled(): return |
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43 | |
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44 | # ----- 3D Correlation Function ----- |
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45 | # gamma3(R) = 1/R int_{0}^{R} gamma1(x) dx |
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46 | # trapz uses the trapezium rule to calculate the integral |
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47 | # gamma3 = [trapz(gamma1[:n], xs[:n])/xs[n-1] for n in range(2, len(xs[mask]) + 1)]j |
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48 | # gamma3.insert(0, 1.0) # Gamma_3(0) is defined as 1 |
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49 | n = len(xs) |
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50 | gamma3 = cumtrapz(gamma1[:n], xs[:n])/xs[1:n] |
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51 | gamma3 = np.hstack((1.0, gamma3)) # Gamma_3(0) is defined as 1 |
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52 | |
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53 | if self.check_if_cancelled(): return |
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54 | |
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55 | # ----- Interface Distribution function ----- |
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56 | idf = dct(-qs**4 * (iqs-background)) |
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57 | |
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58 | if self.check_if_cancelled(): return |
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59 | |
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60 | # Manually calculate IDF(0.0), since scipy DCT tends to give us a |
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61 | # very large negative value. |
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62 | # IDF(x) = int_0^inf q^4 * I(q) * cos(q*x) * dq |
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63 | # => IDF(0) = int_0^inf q^4 * I(q) * dq |
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64 | idf[0] = trapz(-qs**4 * (iqs-background), qs) |
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65 | idf /= Q # Normalise using scattering invariant |
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66 | |
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67 | except Exception as e: |
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68 | import logging |
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69 | logger = logging.getLogger(__name__) |
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70 | logger.error(e) |
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71 | |
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72 | self.update(msg="Fourier transform failed.") |
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73 | self.complete(transforms=None) |
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74 | return |
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75 | if self.isquit(): |
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76 | return |
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77 | self.update(msg="Fourier transform completed.") |
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78 | |
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79 | transform1 = Data1D(xs, gamma1) |
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80 | transform3 = Data1D(xs, gamma3) |
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81 | idf = Data1D(xs, idf) |
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82 | |
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83 | transforms = (transform1, transform3, idf) |
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84 | |
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85 | self.complete(transforms=transforms) |
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86 | |
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87 | class HilbertThread(CalcThread): |
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88 | def __init__(self, raw_data, extrapolated_data, bg, updatefn=None, |
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89 | completefn=None): |
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90 | CalcThread.__init__(self, updatefn=updatefn, completefn=completefn) |
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91 | self.data = raw_data |
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92 | self.background = bg |
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93 | self.extrapolation = extrapolated_data |
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94 | |
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95 | def compute(self): |
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96 | qs = self.extrapolation.x |
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97 | iqs = self.extrapolation.y |
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98 | q = self.data.x |
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99 | background = self.background |
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100 | |
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101 | self.ready(delay=0.0) |
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102 | self.update(msg="Starting Hilbert transform.") |
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103 | self.ready(delay=0.0) |
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104 | if self.isquit(): |
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105 | return |
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106 | |
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107 | # TODO: Implement hilbert transform |
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108 | |
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109 | self.update(msg="Hilbert transform completed.") |
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110 | |
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111 | self.complete(transforms=None) |
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