[a3084ada] | 1 | """ |
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[f60a8c2] | 2 | Module that contains classes to hold information read from |
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[a3084ada] | 3 | reduced data files. |
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| 4 | |
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[f60a8c2] | 5 | A good description of the data members can be found in |
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[a3084ada] | 6 | the CanSAS 1D XML data format: |
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| 7 | |
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| 8 | http://www.smallangles.net/wgwiki/index.php/cansas1d_documentation |
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| 9 | """ |
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[f60a8c2] | 10 | ##################################################################### |
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[0997158f] | 11 | #This software was developed by the University of Tennessee as part of the |
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| 12 | #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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[f60a8c2] | 13 | #project funded by the US National Science Foundation. |
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| 14 | #See the license text in license.txt |
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[0997158f] | 15 | #copyright 2008, University of Tennessee |
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[f60a8c2] | 16 | ###################################################################### |
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[a3084ada] | 17 | |
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| 18 | |
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[b39c817] | 19 | #TODO: Keep track of data manipulation in the 'process' data structure. |
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[579ba85] | 20 | #TODO: This module should be independent of plottables. We should write |
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| 21 | # an adapter class for plottables when needed. |
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[b39c817] | 22 | |
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[579ba85] | 23 | #from sans.guitools.plottables import Data1D as plottable_1D |
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[9198b83] | 24 | from data_util.uncertainty import Uncertainty |
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| 25 | import numpy |
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| 26 | import math |
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[a3084ada] | 27 | |
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[f60a8c2] | 28 | |
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[579ba85] | 29 | class plottable_1D: |
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| 30 | """ |
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[0997158f] | 31 | Data1D is a place holder for 1D plottables. |
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[579ba85] | 32 | """ |
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[a7a5886] | 33 | # The presence of these should be mutually |
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| 34 | # exclusive with the presence of Qdev (dx) |
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[579ba85] | 35 | x = None |
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| 36 | y = None |
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| 37 | dx = None |
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| 38 | dy = None |
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[d00f8ff] | 39 | ## Slit smearing length |
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| 40 | dxl = None |
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| 41 | ## Slit smearing width |
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| 42 | dxw = None |
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[579ba85] | 43 | |
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| 44 | # Units |
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| 45 | _xaxis = '' |
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| 46 | _xunit = '' |
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| 47 | _yaxis = '' |
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| 48 | _yunit = '' |
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| 49 | |
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[a7a5886] | 50 | def __init__(self, x, y, dx=None, dy=None, dxl=None, dxw=None): |
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[2733188] | 51 | self.x = numpy.asarray(x) |
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| 52 | self.y = numpy.asarray(y) |
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[a7a5886] | 53 | if dx is not None: |
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[f60a8c2] | 54 | self.dx = numpy.asarray(dx) |
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| 55 | if dy is not None: |
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[a7a5886] | 56 | self.dy = numpy.asarray(dy) |
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[f60a8c2] | 57 | if dxl is not None: |
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[a7a5886] | 58 | self.dxl = numpy.asarray(dxl) |
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| 59 | if dxw is not None: |
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| 60 | self.dxw = numpy.asarray(dxw) |
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[579ba85] | 61 | |
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| 62 | def xaxis(self, label, unit): |
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[a7a5886] | 63 | """ |
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| 64 | set the x axis label and unit |
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| 65 | """ |
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[579ba85] | 66 | self._xaxis = label |
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| 67 | self._xunit = unit |
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| 68 | |
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| 69 | def yaxis(self, label, unit): |
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[a7a5886] | 70 | """ |
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| 71 | set the y axis label and unit |
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| 72 | """ |
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[579ba85] | 73 | self._yaxis = label |
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| 74 | self._yunit = unit |
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| 75 | |
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[f60a8c2] | 76 | |
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[99d1af6] | 77 | class plottable_2D: |
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[8780e9a] | 78 | """ |
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[0997158f] | 79 | Data2D is a place holder for 2D plottables. |
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[8780e9a] | 80 | """ |
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| 81 | xmin = None |
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| 82 | xmax = None |
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| 83 | ymin = None |
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| 84 | ymax = None |
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[99d1af6] | 85 | data = None |
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[f60a8c2] | 86 | qx_data = None |
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| 87 | qy_data = None |
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| 88 | q_data = None |
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| 89 | err_data = None |
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| 90 | dqx_data = None |
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| 91 | dqy_data = None |
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| 92 | mask = None |
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[99d1af6] | 93 | |
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| 94 | # Units |
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| 95 | _xaxis = '' |
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| 96 | _xunit = '' |
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| 97 | _yaxis = '' |
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| 98 | _yunit = '' |
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| 99 | _zaxis = '' |
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| 100 | _zunit = '' |
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| 101 | |
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[a7a5886] | 102 | def __init__(self, data=None, err_data=None, qx_data=None, |
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[f60a8c2] | 103 | qy_data=None, q_data=None, mask=None, |
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| 104 | dqx_data=None, dqy_data=None): |
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[442f42f] | 105 | self.data = numpy.asarray(data) |
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[3cd95c8] | 106 | self.qx_data = numpy.asarray(qx_data) |
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| 107 | self.qy_data = numpy.asarray(qy_data) |
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| 108 | self.q_data = numpy.asarray(q_data) |
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| 109 | self.mask = numpy.asarray(mask) |
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[442f42f] | 110 | self.err_data = numpy.asarray(err_data) |
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[f60a8c2] | 111 | if dqx_data is not None: |
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| 112 | self.dqx_data = numpy.asarray(dqx_data) |
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| 113 | if dqy_data is not None: |
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| 114 | self.dqy_data = numpy.asarray(dqy_data) |
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[3cd95c8] | 115 | |
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[99d1af6] | 116 | def xaxis(self, label, unit): |
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[a7a5886] | 117 | """ |
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| 118 | set the x axis label and unit |
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| 119 | """ |
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[99d1af6] | 120 | self._xaxis = label |
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| 121 | self._xunit = unit |
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| 122 | |
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| 123 | def yaxis(self, label, unit): |
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[a7a5886] | 124 | """ |
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| 125 | set the y axis label and unit |
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| 126 | """ |
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[99d1af6] | 127 | self._yaxis = label |
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| 128 | self._yunit = unit |
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| 129 | |
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| 130 | def zaxis(self, label, unit): |
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[a7a5886] | 131 | """ |
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| 132 | set the z axis label and unit |
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| 133 | """ |
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[99d1af6] | 134 | self._zaxis = label |
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| 135 | self._zunit = unit |
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[de5c813] | 136 | |
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[99d1af6] | 137 | |
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[a3084ada] | 138 | class Vector: |
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| 139 | """ |
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[0997158f] | 140 | Vector class to hold multi-dimensional objects |
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[a3084ada] | 141 | """ |
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| 142 | ## x component |
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| 143 | x = None |
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| 144 | ## y component |
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| 145 | y = None |
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| 146 | ## z component |
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| 147 | z = None |
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| 148 | |
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| 149 | def __init__(self, x=None, y=None, z=None): |
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| 150 | """ |
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[0997158f] | 151 | Initialization. Components that are not |
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| 152 | set a set to None by default. |
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| 153 | |
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| 154 | :param x: x component |
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| 155 | :param y: y component |
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| 156 | :param z: z component |
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| 157 | |
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[a3084ada] | 158 | """ |
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| 159 | self.x = x |
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| 160 | self.y = y |
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| 161 | self.z = z |
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| 162 | |
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| 163 | def __str__(self): |
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[a7a5886] | 164 | msg = "x = %s\ty = %s\tz = %s" % (str(self.x), str(self.y), str(self.z)) |
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| 165 | return msg |
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[a3084ada] | 166 | |
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| 167 | |
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| 168 | class Detector: |
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| 169 | """ |
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[0997158f] | 170 | Class to hold detector information |
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[a3084ada] | 171 | """ |
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| 172 | ## Name of the instrument [string] |
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[fe78c7b] | 173 | name = None |
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[a3084ada] | 174 | ## Sample to detector distance [float] [mm] |
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| 175 | distance = None |
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[b39c817] | 176 | distance_unit = 'mm' |
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[f60a8c2] | 177 | ## Offset of this detector position in X, Y, |
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| 178 | #(and Z if necessary) [Vector] [mm] |
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[d6513cd] | 179 | offset = None |
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[b39c817] | 180 | offset_unit = 'm' |
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[a7a5886] | 181 | ## Orientation (rotation) of this detector in roll, |
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| 182 | # pitch, and yaw [Vector] [degrees] |
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[d6513cd] | 183 | orientation = None |
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[8780e9a] | 184 | orientation_unit = 'degree' |
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[f60a8c2] | 185 | ## Center of the beam on the detector in X and Y |
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[a7a5886] | 186 | #(and Z if necessary) [Vector] [mm] |
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[d6513cd] | 187 | beam_center = None |
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[8780e9a] | 188 | beam_center_unit = 'mm' |
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[a3084ada] | 189 | ## Pixel size in X, Y, (and Z if necessary) [Vector] [mm] |
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[d6513cd] | 190 | pixel_size = None |
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[8780e9a] | 191 | pixel_size_unit = 'mm' |
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[a3084ada] | 192 | ## Slit length of the instrument for this detector.[float] [mm] |
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| 193 | slit_length = None |
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[2e9b98c] | 194 | slit_length_unit = 'mm' |
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[8780e9a] | 195 | |
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[d6513cd] | 196 | def __init__(self): |
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| 197 | """ |
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[0997158f] | 198 | |
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| 199 | Initialize class attribute that are objects... |
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| 200 | |
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[d6513cd] | 201 | """ |
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| 202 | self.offset = Vector() |
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| 203 | self.orientation = Vector() |
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| 204 | self.beam_center = Vector() |
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| 205 | self.pixel_size = Vector() |
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| 206 | |
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[8780e9a] | 207 | def __str__(self): |
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| 208 | _str = "Detector:\n" |
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| 209 | _str += " Name: %s\n" % self.name |
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| 210 | _str += " Distance: %s [%s]\n" % \ |
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| 211 | (str(self.distance), str(self.distance_unit)) |
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| 212 | _str += " Offset: %s [%s]\n" % \ |
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| 213 | (str(self.offset), str(self.offset_unit)) |
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| 214 | _str += " Orientation: %s [%s]\n" % \ |
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| 215 | (str(self.orientation), str(self.orientation_unit)) |
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| 216 | _str += " Beam center: %s [%s]\n" % \ |
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| 217 | (str(self.beam_center), str(self.beam_center_unit)) |
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| 218 | _str += " Pixel size: %s [%s]\n" % \ |
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| 219 | (str(self.pixel_size), str(self.pixel_size_unit)) |
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| 220 | _str += " Slit length: %s [%s]\n" % \ |
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| 221 | (str(self.slit_length), str(self.slit_length_unit)) |
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| 222 | return _str |
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[a3084ada] | 223 | |
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[f60a8c2] | 224 | |
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[d6513cd] | 225 | class Aperture: |
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[4c00964] | 226 | ## Name |
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[579ba85] | 227 | name = None |
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[4c00964] | 228 | ## Type |
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[579ba85] | 229 | type = None |
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| 230 | ## Size name |
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| 231 | size_name = None |
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[4c00964] | 232 | ## Aperture size [Vector] |
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[d6513cd] | 233 | size = None |
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| 234 | size_unit = 'mm' |
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[4c00964] | 235 | ## Aperture distance [float] |
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[d6513cd] | 236 | distance = None |
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| 237 | distance_unit = 'mm' |
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| 238 | |
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| 239 | def __init__(self): |
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| 240 | self.size = Vector() |
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| 241 | |
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[f60a8c2] | 242 | |
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[a3084ada] | 243 | class Collimation: |
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| 244 | """ |
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[0997158f] | 245 | Class to hold collimation information |
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[a3084ada] | 246 | """ |
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[4c00964] | 247 | ## Name |
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[fe78c7b] | 248 | name = None |
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[a3084ada] | 249 | ## Length [float] [mm] |
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| 250 | length = None |
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[8780e9a] | 251 | length_unit = 'mm' |
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| 252 | ## Aperture |
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[d6513cd] | 253 | aperture = None |
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| 254 | |
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| 255 | def __init__(self): |
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| 256 | self.aperture = [] |
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[8780e9a] | 257 | |
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| 258 | def __str__(self): |
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| 259 | _str = "Collimation:\n" |
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| 260 | _str += " Length: %s [%s]\n" % \ |
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| 261 | (str(self.length), str(self.length_unit)) |
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| 262 | for item in self.aperture: |
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| 263 | _str += " Aperture size:%s [%s]\n" % \ |
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| 264 | (str(item.size), str(item.size_unit)) |
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| 265 | _str += " Aperture_dist:%s [%s]\n" % \ |
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| 266 | (str(item.distance), str(item.distance_unit)) |
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| 267 | return _str |
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[a3084ada] | 268 | |
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[f60a8c2] | 269 | |
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[a3084ada] | 270 | class Source: |
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| 271 | """ |
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[0997158f] | 272 | Class to hold source information |
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[f60a8c2] | 273 | """ |
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[4c00964] | 274 | ## Name |
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[579ba85] | 275 | name = None |
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[a3084ada] | 276 | ## Radiation type [string] |
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[579ba85] | 277 | radiation = None |
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| 278 | ## Beam size name |
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| 279 | beam_size_name = None |
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[a3084ada] | 280 | ## Beam size [Vector] [mm] |
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[d6513cd] | 281 | beam_size = None |
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[8780e9a] | 282 | beam_size_unit = 'mm' |
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[a3084ada] | 283 | ## Beam shape [string] |
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[579ba85] | 284 | beam_shape = None |
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[a3084ada] | 285 | ## Wavelength [float] [Angstrom] |
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| 286 | wavelength = None |
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[8780e9a] | 287 | wavelength_unit = 'A' |
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[a3084ada] | 288 | ## Minimum wavelength [float] [Angstrom] |
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| 289 | wavelength_min = None |
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[8780e9a] | 290 | wavelength_min_unit = 'nm' |
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[a3084ada] | 291 | ## Maximum wavelength [float] [Angstrom] |
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| 292 | wavelength_max = None |
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[8780e9a] | 293 | wavelength_max_unit = 'nm' |
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[a3084ada] | 294 | ## Wavelength spread [float] [Angstrom] |
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| 295 | wavelength_spread = None |
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[8780e9a] | 296 | wavelength_spread_unit = 'percent' |
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| 297 | |
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[d6513cd] | 298 | def __init__(self): |
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| 299 | self.beam_size = Vector() |
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| 300 | |
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[8780e9a] | 301 | def __str__(self): |
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| 302 | _str = "Source:\n" |
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| 303 | _str += " Radiation: %s\n" % str(self.radiation) |
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| 304 | _str += " Shape: %s\n" % str(self.beam_shape) |
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| 305 | _str += " Wavelength: %s [%s]\n" % \ |
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| 306 | (str(self.wavelength), str(self.wavelength_unit)) |
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| 307 | _str += " Waveln_min: %s [%s]\n" % \ |
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| 308 | (str(self.wavelength_min), str(self.wavelength_min_unit)) |
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| 309 | _str += " Waveln_max: %s [%s]\n" % \ |
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| 310 | (str(self.wavelength_max), str(self.wavelength_max_unit)) |
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| 311 | _str += " Waveln_spread:%s [%s]\n" % \ |
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| 312 | (str(self.wavelength_spread), str(self.wavelength_spread_unit)) |
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| 313 | _str += " Beam_size: %s [%s]\n" % \ |
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| 314 | (str(self.beam_size), str(self.beam_size_unit)) |
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| 315 | return _str |
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| 316 | |
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[a3084ada] | 317 | |
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[f60a8c2] | 318 | """ |
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[0997158f] | 319 | Definitions of radiation types |
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[a3084ada] | 320 | """ |
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| 321 | NEUTRON = 'neutron' |
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| 322 | XRAY = 'x-ray' |
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| 323 | MUON = 'muon' |
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| 324 | ELECTRON = 'electron' |
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| 325 | |
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[f60a8c2] | 326 | |
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[a3084ada] | 327 | class Sample: |
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| 328 | """ |
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[0997158f] | 329 | Class to hold the sample description |
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[a3084ada] | 330 | """ |
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[579ba85] | 331 | ## Short name for sample |
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| 332 | name = '' |
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[a3084ada] | 333 | ## ID |
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| 334 | ID = '' |
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| 335 | ## Thickness [float] [mm] |
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| 336 | thickness = None |
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[8780e9a] | 337 | thickness_unit = 'mm' |
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| 338 | ## Transmission [float] [fraction] |
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[a3084ada] | 339 | transmission = None |
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| 340 | ## Temperature [float] [C] |
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| 341 | temperature = None |
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[8780e9a] | 342 | temperature_unit = 'C' |
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[a3084ada] | 343 | ## Position [Vector] [mm] |
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[d6513cd] | 344 | position = None |
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[8780e9a] | 345 | position_unit = 'mm' |
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[a3084ada] | 346 | ## Orientation [Vector] [degrees] |
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[d6513cd] | 347 | orientation = None |
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[8780e9a] | 348 | orientation_unit = 'degree' |
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[a3084ada] | 349 | ## Details |
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[d6513cd] | 350 | details = None |
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| 351 | |
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| 352 | def __init__(self): |
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| 353 | self.position = Vector() |
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| 354 | self.orientation = Vector() |
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| 355 | self.details = [] |
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[8780e9a] | 356 | |
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| 357 | def __str__(self): |
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| 358 | _str = "Sample:\n" |
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| 359 | _str += " ID: %s\n" % str(self.ID) |
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| 360 | _str += " Transmission: %s\n" % str(self.transmission) |
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| 361 | _str += " Thickness: %s [%s]\n" % \ |
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| 362 | (str(self.thickness), str(self.thickness_unit)) |
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| 363 | _str += " Temperature: %s [%s]\n" % \ |
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| 364 | (str(self.temperature), str(self.temperature_unit)) |
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| 365 | _str += " Position: %s [%s]\n" % \ |
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| 366 | (str(self.position), str(self.position_unit)) |
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| 367 | _str += " Orientation: %s [%s]\n" % \ |
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| 368 | (str(self.orientation), str(self.orientation_unit)) |
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| 369 | |
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| 370 | _str += " Details:\n" |
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| 371 | for item in self.details: |
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| 372 | _str += " %s\n" % item |
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| 373 | |
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| 374 | return _str |
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| 375 | |
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[f60a8c2] | 376 | |
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[8780e9a] | 377 | class Process: |
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| 378 | """ |
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[0997158f] | 379 | Class that holds information about the processes |
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| 380 | performed on the data. |
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[8780e9a] | 381 | """ |
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| 382 | name = '' |
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| 383 | date = '' |
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[a7a5886] | 384 | description = '' |
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[d6513cd] | 385 | term = None |
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| 386 | notes = None |
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| 387 | |
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| 388 | def __init__(self): |
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| 389 | self.term = [] |
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| 390 | self.notes = [] |
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[8780e9a] | 391 | |
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| 392 | def __str__(self): |
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| 393 | _str = "Process:\n" |
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| 394 | _str += " Name: %s\n" % self.name |
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| 395 | _str += " Date: %s\n" % self.date |
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| 396 | _str += " Description: %s\n" % self.description |
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| 397 | for item in self.term: |
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| 398 | _str += " Term: %s\n" % item |
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| 399 | for item in self.notes: |
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| 400 | _str += " Note: %s\n" % item |
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| 401 | return _str |
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[a3084ada] | 402 | |
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| 403 | |
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| 404 | class DataInfo: |
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| 405 | """ |
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[0997158f] | 406 | Class to hold the data read from a file. |
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| 407 | It includes four blocks of data for the |
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| 408 | instrument description, the sample description, |
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| 409 | the data itself and any other meta data. |
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[a3084ada] | 410 | """ |
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[f60a8c2] | 411 | ## Title |
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[8780e9a] | 412 | title = '' |
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[a3084ada] | 413 | ## Run number |
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| 414 | run = None |
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[579ba85] | 415 | ## Run name |
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| 416 | run_name = None |
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[a3084ada] | 417 | ## File name |
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| 418 | filename = '' |
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| 419 | ## Notes |
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[d6513cd] | 420 | notes = None |
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[a3084ada] | 421 | ## Processes (Action on the data) |
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[d6513cd] | 422 | process = None |
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[8780e9a] | 423 | ## Instrument name |
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| 424 | instrument = '' |
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[a3084ada] | 425 | ## Detector information |
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[d6513cd] | 426 | detector = None |
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[a3084ada] | 427 | ## Sample information |
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[d6513cd] | 428 | sample = None |
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[a3084ada] | 429 | ## Source information |
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[d6513cd] | 430 | source = None |
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[8780e9a] | 431 | ## Collimation information |
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[d6513cd] | 432 | collimation = None |
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[a3084ada] | 433 | ## Additional meta-data |
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[d6513cd] | 434 | meta_data = None |
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[8780e9a] | 435 | ## Loading errors |
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[d6513cd] | 436 | errors = None |
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[a3084ada] | 437 | |
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[b99ac227] | 438 | def __init__(self): |
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| 439 | """ |
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[0997158f] | 440 | Initialization |
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[b99ac227] | 441 | """ |
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| 442 | ## Title |
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| 443 | self.title = '' |
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| 444 | ## Run number |
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[579ba85] | 445 | self.run = [] |
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| 446 | self.run_name = {} |
---|
[b99ac227] | 447 | ## File name |
---|
| 448 | self.filename = '' |
---|
| 449 | ## Notes |
---|
| 450 | self.notes = [] |
---|
| 451 | ## Processes (Action on the data) |
---|
| 452 | self.process = [] |
---|
| 453 | ## Instrument name |
---|
| 454 | self.instrument = '' |
---|
| 455 | ## Detector information |
---|
| 456 | self.detector = [] |
---|
| 457 | ## Sample information |
---|
| 458 | self.sample = Sample() |
---|
| 459 | ## Source information |
---|
| 460 | self.source = Source() |
---|
| 461 | ## Collimation information |
---|
| 462 | self.collimation = [] |
---|
| 463 | ## Additional meta-data |
---|
| 464 | self.meta_data = {} |
---|
| 465 | ## Loading errors |
---|
[f60a8c2] | 466 | self.errors = [] |
---|
[b99ac227] | 467 | |
---|
[99abf5d] | 468 | def append_empty_process(self): |
---|
[67c7e89] | 469 | """ |
---|
| 470 | """ |
---|
| 471 | self.process.append(Process()) |
---|
| 472 | |
---|
| 473 | def add_notes(self, message=""): |
---|
| 474 | """ |
---|
| 475 | Add notes to datainfo |
---|
| 476 | """ |
---|
| 477 | self.notes.append(message) |
---|
| 478 | |
---|
[99d1af6] | 479 | def __str__(self): |
---|
| 480 | """ |
---|
[0997158f] | 481 | Nice printout |
---|
[99d1af6] | 482 | """ |
---|
| 483 | _str = "File: %s\n" % self.filename |
---|
| 484 | _str += "Title: %s\n" % self.title |
---|
| 485 | _str += "Run: %s\n" % str(self.run) |
---|
| 486 | _str += "Instrument: %s\n" % str(self.instrument) |
---|
| 487 | _str += "%s\n" % str(self.sample) |
---|
| 488 | _str += "%s\n" % str(self.source) |
---|
| 489 | for item in self.detector: |
---|
| 490 | _str += "%s\n" % str(item) |
---|
| 491 | for item in self.collimation: |
---|
| 492 | _str += "%s\n" % str(item) |
---|
| 493 | for item in self.process: |
---|
| 494 | _str += "%s\n" % str(item) |
---|
| 495 | for item in self.notes: |
---|
| 496 | _str += "%s\n" % str(item) |
---|
| 497 | |
---|
| 498 | return _str |
---|
| 499 | |
---|
[b39c817] | 500 | # Private method to perform operation. Not implemented for DataInfo, |
---|
| 501 | # but should be implemented for each data class inherited from DataInfo |
---|
| 502 | # that holds actual data (ex.: Data1D) |
---|
[f60a8c2] | 503 | def _perform_operation(self, other, operation): |
---|
[a7a5886] | 504 | """ |
---|
| 505 | Private method to perform operation. Not implemented for DataInfo, |
---|
| 506 | but should be implemented for each data class inherited from DataInfo |
---|
| 507 | that holds actual data (ex.: Data1D) |
---|
| 508 | """ |
---|
| 509 | return NotImplemented |
---|
[b39c817] | 510 | |
---|
| 511 | def __add__(self, other): |
---|
| 512 | """ |
---|
[0997158f] | 513 | Add two data sets |
---|
| 514 | |
---|
| 515 | :param other: data set to add to the current one |
---|
| 516 | :return: new data set |
---|
| 517 | :raise ValueError: raised when two data sets are incompatible |
---|
[b39c817] | 518 | """ |
---|
[a7a5886] | 519 | def operation(a, b): |
---|
| 520 | return a + b |
---|
[b39c817] | 521 | return self._perform_operation(other, operation) |
---|
| 522 | |
---|
| 523 | def __radd__(self, other): |
---|
| 524 | """ |
---|
[0997158f] | 525 | Add two data sets |
---|
| 526 | |
---|
| 527 | :param other: data set to add to the current one |
---|
| 528 | |
---|
| 529 | :return: new data set |
---|
| 530 | |
---|
| 531 | :raise ValueError: raised when two data sets are incompatible |
---|
| 532 | |
---|
[b39c817] | 533 | """ |
---|
[a7a5886] | 534 | def operation(a, b): |
---|
| 535 | return b + a |
---|
[b39c817] | 536 | return self._perform_operation(other, operation) |
---|
| 537 | |
---|
| 538 | def __sub__(self, other): |
---|
| 539 | """ |
---|
[0997158f] | 540 | Subtract two data sets |
---|
| 541 | |
---|
| 542 | :param other: data set to subtract from the current one |
---|
| 543 | |
---|
| 544 | :return: new data set |
---|
| 545 | |
---|
| 546 | :raise ValueError: raised when two data sets are incompatible |
---|
| 547 | |
---|
[b39c817] | 548 | """ |
---|
[a7a5886] | 549 | def operation(a, b): |
---|
| 550 | return a - b |
---|
[b39c817] | 551 | return self._perform_operation(other, operation) |
---|
| 552 | |
---|
| 553 | def __rsub__(self, other): |
---|
| 554 | """ |
---|
[0997158f] | 555 | Subtract two data sets |
---|
| 556 | |
---|
| 557 | :param other: data set to subtract from the current one |
---|
| 558 | |
---|
| 559 | :return: new data set |
---|
| 560 | |
---|
| 561 | :raise ValueError: raised when two data sets are incompatible |
---|
| 562 | |
---|
[b39c817] | 563 | """ |
---|
[a7a5886] | 564 | def operation(a, b): |
---|
| 565 | return b - a |
---|
[b39c817] | 566 | return self._perform_operation(other, operation) |
---|
| 567 | |
---|
| 568 | def __mul__(self, other): |
---|
| 569 | """ |
---|
[0997158f] | 570 | Multiply two data sets |
---|
| 571 | |
---|
| 572 | :param other: data set to subtract from the current one |
---|
| 573 | |
---|
| 574 | :return: new data set |
---|
| 575 | |
---|
| 576 | :raise ValueError: raised when two data sets are incompatible |
---|
| 577 | |
---|
[b39c817] | 578 | """ |
---|
[a7a5886] | 579 | def operation(a, b): |
---|
| 580 | return a * b |
---|
[b39c817] | 581 | return self._perform_operation(other, operation) |
---|
| 582 | |
---|
| 583 | def __rmul__(self, other): |
---|
| 584 | """ |
---|
[0997158f] | 585 | Multiply two data sets |
---|
| 586 | |
---|
| 587 | :param other: data set to subtract from the current one |
---|
| 588 | |
---|
| 589 | :return: new data set |
---|
| 590 | |
---|
| 591 | :raise ValueError: raised when two data sets are incompatible |
---|
[b39c817] | 592 | """ |
---|
[a7a5886] | 593 | def operation(a, b): |
---|
| 594 | return b * a |
---|
[b39c817] | 595 | return self._perform_operation(other, operation) |
---|
| 596 | |
---|
| 597 | def __div__(self, other): |
---|
| 598 | """ |
---|
[0997158f] | 599 | Divided a data set by another |
---|
| 600 | |
---|
| 601 | :param other: data set that the current one is divided by |
---|
| 602 | |
---|
| 603 | :return: new data set |
---|
| 604 | |
---|
| 605 | :raise ValueError: raised when two data sets are incompatible |
---|
| 606 | |
---|
[b39c817] | 607 | """ |
---|
[a7a5886] | 608 | def operation(a, b): |
---|
| 609 | return a/b |
---|
[b39c817] | 610 | return self._perform_operation(other, operation) |
---|
| 611 | |
---|
| 612 | def __rdiv__(self, other): |
---|
| 613 | """ |
---|
[0997158f] | 614 | Divided a data set by another |
---|
| 615 | |
---|
| 616 | :param other: data set that the current one is divided by |
---|
| 617 | |
---|
| 618 | :return: new data set |
---|
| 619 | |
---|
| 620 | :raise ValueError: raised when two data sets are incompatible |
---|
| 621 | |
---|
[b39c817] | 622 | """ |
---|
[a7a5886] | 623 | def operation(a, b): |
---|
| 624 | return b/a |
---|
[f60a8c2] | 625 | return self._perform_operation(other, operation) |
---|
| 626 | |
---|
[b39c817] | 627 | |
---|
[a3084ada] | 628 | class Data1D(plottable_1D, DataInfo): |
---|
| 629 | """ |
---|
[0997158f] | 630 | 1D data class |
---|
[a3084ada] | 631 | """ |
---|
[ca10d8e] | 632 | x_unit = '1/A' |
---|
| 633 | y_unit = '1/cm' |
---|
[8780e9a] | 634 | |
---|
[a3084ada] | 635 | def __init__(self, x, y, dx=None, dy=None): |
---|
[b99ac227] | 636 | DataInfo.__init__(self) |
---|
[a3084ada] | 637 | plottable_1D.__init__(self, x, y, dx, dy) |
---|
[b99ac227] | 638 | |
---|
[a3084ada] | 639 | def __str__(self): |
---|
| 640 | """ |
---|
[0997158f] | 641 | Nice printout |
---|
[a3084ada] | 642 | """ |
---|
[99d1af6] | 643 | _str = "%s\n" % DataInfo.__str__(self) |
---|
| 644 | |
---|
[a3084ada] | 645 | _str += "Data:\n" |
---|
| 646 | _str += " Type: %s\n" % self.__class__.__name__ |
---|
| 647 | _str += " X-axis: %s\t[%s]\n" % (self._xaxis, self._xunit) |
---|
| 648 | _str += " Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit) |
---|
| 649 | _str += " Length: %g\n" % len(self.x) |
---|
| 650 | |
---|
| 651 | return _str |
---|
| 652 | |
---|
[4026380] | 653 | def is_slit_smeared(self): |
---|
| 654 | """ |
---|
[0997158f] | 655 | Check whether the data has slit smearing information |
---|
| 656 | |
---|
| 657 | :return: True is slit smearing info is present, False otherwise |
---|
| 658 | |
---|
[4026380] | 659 | """ |
---|
[f60a8c2] | 660 | def _check(v): |
---|
[a7a5886] | 661 | if (v.__class__ == list or v.__class__ == numpy.ndarray) \ |
---|
| 662 | and len(v) > 0 and min(v) > 0: |
---|
[4026380] | 663 | return True |
---|
| 664 | |
---|
| 665 | return False |
---|
| 666 | |
---|
| 667 | return _check(self.dxl) or _check(self.dxw) |
---|
| 668 | |
---|
[7d8094b] | 669 | def clone_without_data(self, length=0, clone=None): |
---|
[b39c817] | 670 | """ |
---|
[0997158f] | 671 | Clone the current object, without copying the data (which |
---|
| 672 | will be filled out by a subsequent operation). |
---|
| 673 | The data arrays will be initialized to zero. |
---|
| 674 | |
---|
| 675 | :param length: length of the data array to be initialized |
---|
| 676 | :param clone: if provided, the data will be copied to clone |
---|
[b39c817] | 677 | """ |
---|
[9198b83] | 678 | from copy import deepcopy |
---|
| 679 | |
---|
[7d8094b] | 680 | if clone is None or not issubclass(clone.__class__, Data1D): |
---|
[f60a8c2] | 681 | x = numpy.zeros(length) |
---|
| 682 | dx = numpy.zeros(length) |
---|
| 683 | y = numpy.zeros(length) |
---|
| 684 | dy = numpy.zeros(length) |
---|
[7d8094b] | 685 | clone = Data1D(x, y, dx=dx, dy=dy) |
---|
[9198b83] | 686 | |
---|
| 687 | clone.title = self.title |
---|
| 688 | clone.run = self.run |
---|
| 689 | clone.filename = self.filename |
---|
[f60a8c2] | 690 | clone.instrument = self.instrument |
---|
| 691 | clone.notes = deepcopy(self.notes) |
---|
| 692 | clone.process = deepcopy(self.process) |
---|
| 693 | clone.detector = deepcopy(self.detector) |
---|
| 694 | clone.sample = deepcopy(self.sample) |
---|
| 695 | clone.source = deepcopy(self.source) |
---|
| 696 | clone.collimation = deepcopy(self.collimation) |
---|
| 697 | clone.meta_data = deepcopy(self.meta_data) |
---|
| 698 | clone.errors = deepcopy(self.errors) |
---|
[9198b83] | 699 | |
---|
| 700 | return clone |
---|
| 701 | |
---|
| 702 | def _validity_check(self, other): |
---|
| 703 | """ |
---|
[0997158f] | 704 | Checks that the data lengths are compatible. |
---|
| 705 | Checks that the x vectors are compatible. |
---|
| 706 | Returns errors vectors equal to original |
---|
| 707 | errors vectors if they were present or vectors |
---|
| 708 | of zeros when none was found. |
---|
| 709 | |
---|
| 710 | :param other: other data set for operation |
---|
| 711 | |
---|
| 712 | :return: dy for self, dy for other [numpy arrays] |
---|
| 713 | |
---|
| 714 | :raise ValueError: when lengths are not compatible |
---|
| 715 | |
---|
[9198b83] | 716 | """ |
---|
| 717 | dy_other = None |
---|
| 718 | if isinstance(other, Data1D): |
---|
| 719 | # Check that data lengths are the same |
---|
| 720 | if len(self.x) != len(other.x) or \ |
---|
| 721 | len(self.y) != len(other.y): |
---|
[f60a8c2] | 722 | msg = "Unable to perform operation: data length are not equal" |
---|
[a7a5886] | 723 | raise ValueError, msg |
---|
[9198b83] | 724 | |
---|
| 725 | # Here we could also extrapolate between data points |
---|
| 726 | for i in range(len(self.x)): |
---|
| 727 | if self.x[i] != other.x[i]: |
---|
[a7a5886] | 728 | msg = "Incompatible data sets: x-values do not match" |
---|
| 729 | raise ValueError, msg |
---|
[e2605a5] | 730 | if self.dxl != None and other.dxl == None: |
---|
| 731 | msg = "Incompatible data sets: dxl-values do not match" |
---|
| 732 | raise ValueError, msg |
---|
| 733 | if self.dxl == None and other.dxl != None: |
---|
| 734 | msg = "Incompatible data sets: dxl-values do not match" |
---|
| 735 | raise ValueError, msg |
---|
| 736 | if self.dxw != None and other.dxw == None: |
---|
| 737 | msg = "Incompatible data sets: dxw-values do not match" |
---|
| 738 | raise ValueError, msg |
---|
| 739 | if self.dxw == None and other.dxw != None: |
---|
| 740 | msg = "Incompatible data sets: dxw-values do not match" |
---|
| 741 | raise ValueError, msg |
---|
[9198b83] | 742 | |
---|
| 743 | # Check that the other data set has errors, otherwise |
---|
| 744 | # create zero vector |
---|
| 745 | dy_other = other.dy |
---|
[a7a5886] | 746 | if other.dy == None or (len(other.dy) != len(other.y)): |
---|
[9198b83] | 747 | dy_other = numpy.zeros(len(other.y)) |
---|
| 748 | |
---|
| 749 | # Check that we have errors, otherwise create zero vector |
---|
| 750 | dy = self.dy |
---|
[a7a5886] | 751 | if self.dy == None or (len(self.dy) != len(self.y)): |
---|
[f60a8c2] | 752 | dy = numpy.zeros(len(self.y)) |
---|
[9198b83] | 753 | |
---|
| 754 | return dy, dy_other |
---|
[a3084ada] | 755 | |
---|
[9198b83] | 756 | def _perform_operation(self, other, operation): |
---|
| 757 | """ |
---|
| 758 | """ |
---|
| 759 | # First, check the data compatibility |
---|
| 760 | dy, dy_other = self._validity_check(other) |
---|
| 761 | result = self.clone_without_data(len(self.x)) |
---|
[e2605a5] | 762 | if self.dxw == None: |
---|
| 763 | result.dxw = None |
---|
| 764 | else: |
---|
| 765 | result.dxw = numpy.zeros(len(self.x)) |
---|
| 766 | if self.dxl == None: |
---|
| 767 | result.dxl = None |
---|
| 768 | else: |
---|
| 769 | result.dxl = numpy.zeros(len(self.x)) |
---|
| 770 | |
---|
[9198b83] | 771 | for i in range(len(self.x)): |
---|
| 772 | result.x[i] = self.x[i] |
---|
[a7a5886] | 773 | if self.dx is not None and len(self.x) == len(self.dx): |
---|
[9198b83] | 774 | result.dx[i] = self.dx[i] |
---|
[e2605a5] | 775 | if self.dxw is not None and len(self.x) == len(self.dxw): |
---|
| 776 | result.dxw[i] = self.dxw[i] |
---|
| 777 | if self.dxl is not None and len(self.x) == len(self.dxl): |
---|
| 778 | result.dxl[i] = self.dxl[i] |
---|
[9198b83] | 779 | |
---|
| 780 | a = Uncertainty(self.y[i], dy[i]**2) |
---|
| 781 | if isinstance(other, Data1D): |
---|
| 782 | b = Uncertainty(other.y[i], dy_other[i]**2) |
---|
[e2605a5] | 783 | if other.dx is not None: |
---|
| 784 | result.dx[i] *= self.dx[i] |
---|
| 785 | result.dx[i] += (other.dx[i]**2) |
---|
| 786 | result.dx[i] /= 2 |
---|
| 787 | result.dx[i] = math.sqrt(result.dx[i]) |
---|
| 788 | if result.dxl is not None and other.dxl is not None: |
---|
| 789 | result.dxl[i] *= self.dxl[i] |
---|
| 790 | other.dxl[i] += (other.dxl[i]**2) |
---|
| 791 | result.dxl[i] /= 2 |
---|
| 792 | result.dxl[i] = math.sqrt(result.dxl[i]) |
---|
| 793 | if result.dxw is not None and self.dxw is not None: |
---|
| 794 | result.dxw[i] *= self.dxw[i] |
---|
| 795 | other.dxw[i] += (other.dxw[i]**2) |
---|
| 796 | result.dxw[i] /= 2 |
---|
| 797 | result.dxw[i] = math.sqrt(result.dxw[i]) |
---|
[9198b83] | 798 | else: |
---|
| 799 | b = other |
---|
| 800 | |
---|
| 801 | output = operation(a, b) |
---|
| 802 | result.y[i] = output.x |
---|
| 803 | result.dy[i] = math.sqrt(math.fabs(output.variance)) |
---|
| 804 | return result |
---|
| 805 | |
---|
[f60a8c2] | 806 | |
---|
[99d1af6] | 807 | class Data2D(plottable_2D, DataInfo): |
---|
| 808 | """ |
---|
[0997158f] | 809 | 2D data class |
---|
[99d1af6] | 810 | """ |
---|
| 811 | ## Units for Q-values |
---|
[ca10d8e] | 812 | Q_unit = '1/A' |
---|
[99d1af6] | 813 | |
---|
| 814 | ## Units for I(Q) values |
---|
[ca10d8e] | 815 | I_unit = '1/cm' |
---|
[99d1af6] | 816 | |
---|
| 817 | ## Vector of Q-values at the center of each bin in x |
---|
[d6513cd] | 818 | x_bins = None |
---|
[99d1af6] | 819 | |
---|
| 820 | ## Vector of Q-values at the center of each bin in y |
---|
[d6513cd] | 821 | y_bins = None |
---|
[99d1af6] | 822 | |
---|
[a7a5886] | 823 | def __init__(self, data=None, err_data=None, qx_data=None, |
---|
[f60a8c2] | 824 | qy_data=None, q_data=None, mask=None, |
---|
| 825 | dqx_data=None, dqy_data=None): |
---|
[d6513cd] | 826 | self.y_bins = [] |
---|
| 827 | self.x_bins = [] |
---|
[b99ac227] | 828 | DataInfo.__init__(self) |
---|
[a7a5886] | 829 | plottable_2D.__init__(self, data, err_data, qx_data, |
---|
[f60a8c2] | 830 | qy_data, q_data, mask, dqx_data, dqy_data) |
---|
[a7a5886] | 831 | if len(self.detector) > 0: |
---|
[b99ac227] | 832 | raise RuntimeError, "Data2D: Detector bank already filled at init" |
---|
[99d1af6] | 833 | |
---|
| 834 | def __str__(self): |
---|
[f60a8c2] | 835 | _str = "%s\n" % DataInfo.__str__(self) |
---|
[99d1af6] | 836 | |
---|
| 837 | _str += "Data:\n" |
---|
| 838 | _str += " Type: %s\n" % self.__class__.__name__ |
---|
| 839 | _str += " X- & Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit) |
---|
| 840 | _str += " Z-axis: %s\t[%s]\n" % (self._zaxis, self._zunit) |
---|
[a7a5886] | 841 | #leny = 0 |
---|
| 842 | #if len(self.data) > 0: |
---|
| 843 | # leny = len(self.data) |
---|
[3cd95c8] | 844 | _str += " Length: %g \n" % (len(self.data)) |
---|
[99d1af6] | 845 | |
---|
| 846 | return _str |
---|
| 847 | |
---|
[7d8094b] | 848 | def clone_without_data(self, length=0, clone=None): |
---|
[442f42f] | 849 | """ |
---|
[0997158f] | 850 | Clone the current object, without copying the data (which |
---|
| 851 | will be filled out by a subsequent operation). |
---|
| 852 | The data arrays will be initialized to zero. |
---|
| 853 | |
---|
| 854 | :param length: length of the data array to be initialized |
---|
| 855 | :param clone: if provided, the data will be copied to clone |
---|
[442f42f] | 856 | """ |
---|
| 857 | from copy import deepcopy |
---|
| 858 | |
---|
[f60a8c2] | 859 | if clone is None or not issubclass(clone.__class__, Data2D): |
---|
| 860 | data = numpy.zeros(length) |
---|
| 861 | err_data = numpy.zeros(length) |
---|
[3cd95c8] | 862 | qx_data = numpy.zeros(length) |
---|
| 863 | qy_data = numpy.zeros(length) |
---|
| 864 | q_data = numpy.zeros(length) |
---|
| 865 | mask = numpy.zeros(length) |
---|
| 866 | dqx_data = None |
---|
| 867 | dqy_data = None |
---|
[a7a5886] | 868 | clone = Data2D(data, err_data, qx_data, qy_data, |
---|
[f60a8c2] | 869 | q_data, mask, dqx_data=dqx_data, dqy_data=dqy_data) |
---|
[3cd95c8] | 870 | |
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[442f42f] | 871 | clone.title = self.title |
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| 872 | clone.run = self.run |
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| 873 | clone.filename = self.filename |
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[e38e335] | 874 | clone.instrument = self.instrument |
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[f60a8c2] | 875 | clone.notes = deepcopy(self.notes) |
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| 876 | clone.process = deepcopy(self.process) |
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| 877 | clone.detector = deepcopy(self.detector) |
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| 878 | clone.sample = deepcopy(self.sample) |
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| 879 | clone.source = deepcopy(self.source) |
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| 880 | clone.collimation = deepcopy(self.collimation) |
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| 881 | clone.meta_data = deepcopy(self.meta_data) |
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| 882 | clone.errors = deepcopy(self.errors) |
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[442f42f] | 883 | |
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| 884 | return clone |
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| 885 | |
---|
| 886 | def _validity_check(self, other): |
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| 887 | """ |
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[0997158f] | 888 | Checks that the data lengths are compatible. |
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| 889 | Checks that the x vectors are compatible. |
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| 890 | Returns errors vectors equal to original |
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| 891 | errors vectors if they were present or vectors |
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| 892 | of zeros when none was found. |
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| 893 | |
---|
| 894 | :param other: other data set for operation |
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| 895 | |
---|
| 896 | :return: dy for self, dy for other [numpy arrays] |
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| 897 | |
---|
| 898 | :raise ValueError: when lengths are not compatible |
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| 899 | |
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[442f42f] | 900 | """ |
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| 901 | err_other = None |
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| 902 | if isinstance(other, Data2D): |
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| 903 | # Check that data lengths are the same |
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| 904 | if numpy.size(self.data) != numpy.size(other.data): |
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[a7a5886] | 905 | msg = "Unable to perform operation: data length are not equal" |
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| 906 | raise ValueError, msg |
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[e2605a5] | 907 | if numpy.size(self.qx_data) != numpy.size(other.qx_data): |
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| 908 | msg = "Unable to perform operation: data length are not equal" |
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| 909 | raise ValueError, msg |
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| 910 | if numpy.size(self.qy_data) != numpy.size(other.qy_data): |
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| 911 | msg = "Unable to perform operation: data length are not equal" |
---|
| 912 | raise ValueError, msg |
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| 913 | # Here we could also extrapolate between data points |
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| 914 | for i in range(len(self.data)): |
---|
| 915 | if self.qx_data[i] != other.qx_data[i]: |
---|
| 916 | msg = "Incompatible data sets: qx-values do not match" |
---|
| 917 | raise ValueError, msg |
---|
| 918 | if self.qy_data[i] != other.qy_data[i]: |
---|
| 919 | msg = "Incompatible data sets: qy-values do not match" |
---|
| 920 | raise ValueError, msg |
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| 921 | |
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[442f42f] | 922 | # Check that the scales match |
---|
| 923 | err_other = other.err_data |
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[a7a5886] | 924 | if other.err_data == None or \ |
---|
| 925 | (numpy.size(other.err_data) != numpy.size(other.data)): |
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[e2605a5] | 926 | err_other = numpy.zeros(numpy.size(other.data)) |
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[442f42f] | 927 | |
---|
| 928 | # Check that we have errors, otherwise create zero vector |
---|
| 929 | err = self.err_data |
---|
[a7a5886] | 930 | if self.err_data == None or \ |
---|
| 931 | (numpy.size(self.err_data) != numpy.size(self.data)): |
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[e2605a5] | 932 | err = numpy.zeros(numpy.size(other.data)) |
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[442f42f] | 933 | |
---|
| 934 | return err, err_other |
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| 935 | |
---|
| 936 | def _perform_operation(self, other, operation): |
---|
| 937 | """ |
---|
[0997158f] | 938 | Perform 2D operations between data sets |
---|
| 939 | |
---|
| 940 | :param other: other data set |
---|
| 941 | :param operation: function defining the operation |
---|
| 942 | |
---|
[442f42f] | 943 | """ |
---|
| 944 | # First, check the data compatibility |
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| 945 | dy, dy_other = self._validity_check(other) |
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[e2605a5] | 946 | result = self.clone_without_data(numpy.size(self.data)) |
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| 947 | result.xmin = self.xmin |
---|
| 948 | result.xmax = self.xmax |
---|
| 949 | result.ymin = self.ymin |
---|
| 950 | result.ymax = self.ymax |
---|
| 951 | if self.dqx_data == None or self.dqy_data == None: |
---|
| 952 | result.dqx_data = None |
---|
| 953 | result.dqy_data = None |
---|
| 954 | else: |
---|
| 955 | result.dqx_data = numpy.zeros(len(self.data)) |
---|
| 956 | result.dqy_data = numpy.zeros(len(self.data)) |
---|
| 957 | for i in range(numpy.size(self.data)): |
---|
| 958 | result.data[i] = self.data[i] |
---|
| 959 | if self.err_data is not None and \ |
---|
| 960 | numpy.size(self.data) == numpy.size(self.err_data): |
---|
| 961 | result.err_data[i] = self.err_data[i] |
---|
| 962 | if self.dqx_data is not None: |
---|
| 963 | result.dqx_data[i] = self.dqx_data[i] |
---|
| 964 | if self.dqy_data is not None: |
---|
| 965 | result.dqy_data[i] = self.dqy_data[i] |
---|
| 966 | result.qx_data[i] = self.qx_data[i] |
---|
| 967 | result.qy_data[i] = self.qy_data[i] |
---|
| 968 | result.q_data[i] = self.q_data[i] |
---|
| 969 | result.mask[i] = self.mask[i] |
---|
| 970 | |
---|
| 971 | a = Uncertainty(self.data[i], dy[i]**2) |
---|
| 972 | if isinstance(other, Data2D): |
---|
| 973 | b = Uncertainty(other.data[i], dy_other[i]**2) |
---|
| 974 | if other.dqx_data is not None and \ |
---|
| 975 | result.dqx_data is not None: |
---|
| 976 | result.dqx_data[i] *= self.dqx_data[i] |
---|
| 977 | result.dqx_data[i] += (other.dqx_data[i]**2) |
---|
| 978 | result.dqx_data[i] /= 2 |
---|
| 979 | result.dqx_data[i] = math.sqrt(result.dqx_data[i]) |
---|
| 980 | if other.dqy_data is not None and \ |
---|
| 981 | result.dqy_data is not None: |
---|
| 982 | result.dqy_data[i] *= self.dqy_data[i] |
---|
| 983 | result.dqy_data[i] += (other.dqy_data[i]**2) |
---|
| 984 | result.dqy_data[i] /= 2 |
---|
| 985 | result.dqy_data[i] = math.sqrt(result.dqy_data[i]) |
---|
| 986 | else: |
---|
| 987 | b = other |
---|
| 988 | |
---|
| 989 | output = operation(a, b) |
---|
| 990 | result.data[i] = output.x |
---|
| 991 | result.err_data[i] = math.sqrt(math.fabs(output.variance)) |
---|
[442f42f] | 992 | return result |
---|