1 | # -*- coding: utf-8 -*- |
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2 | ########### SVN repository information ################### |
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3 | # $Date: $ |
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4 | # $Author: toby $ |
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5 | # $Revision: $ |
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6 | # $URL: $ |
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7 | # $Id: $ |
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8 | ########### SVN repository information ################### |
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9 | |
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10 | from __future__ import division, print_function |
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11 | import os |
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12 | import numpy as np |
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13 | import GSASIIobj as G2obj |
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14 | import GSASIIpath |
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15 | GSASIIpath.SetVersionNumber("$Revision: $") |
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16 | class Rigaku_ReaderClass(G2obj.ImportPowderData): |
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17 | '''Routines to import powder data from a Rigaku .txt file with an angle and |
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18 | then 1 or 11(!) intensity values on the line. The example file is proceeded |
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19 | with 10 of blank lines, but I have assumed they could be any sort of text. |
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20 | This code should work with an angle and any number of intensity values/line |
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21 | as long as the number is the same on each line. The step size may not change. The |
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22 | number of comment lines can also change, but should not appear to be intensity |
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23 | values (numbers only). |
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24 | ''' |
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25 | def __init__(self): |
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26 | super(self.__class__,self).__init__( # fancy way to self-reference |
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27 | extensionlist=('.txt','.TXT'), |
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28 | strictExtension=True, |
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29 | formatName = 'Rigaku .txt exported', |
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30 | longFormatName = 'Rigaku powder data exported as .txt' |
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31 | ) |
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32 | self.scriptable = True |
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33 | self.vals = None |
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34 | self.stepsize = None |
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35 | self.skip = 0 |
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36 | |
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37 | # Validate the contents -- make sure we only have valid lines and set |
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38 | # values we will need for later read. |
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39 | def ContentsValidator(self, filename): |
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40 | self.vals = None |
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41 | self.stepsize = None |
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42 | j = 0 |
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43 | prevAngle = None |
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44 | header = True |
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45 | self.skip = -1 |
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46 | fp = open(filename,'r') |
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47 | for i,line in enumerate(fp): |
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48 | sline = line.split() |
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49 | vals = len(sline) |
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50 | if header: |
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51 | self.skip += 1 |
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52 | if not line.strip(): continue # ignore blank lines |
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53 | err = False |
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54 | for item in sline: |
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55 | try: |
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56 | float(item) |
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57 | except: |
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58 | err = True |
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59 | break |
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60 | if err: continue |
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61 | if vals < 1: continue |
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62 | header = False # found first non-header line |
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63 | if vals < 2: |
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64 | print('Too few values for Rigaku .txt file') |
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65 | fp.close() |
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66 | return False |
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67 | if self.vals is None: |
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68 | self.vals = vals |
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69 | elif self.vals != vals: |
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70 | print('Inconsistent numbers values for Rigaku .txt file on line '+str(i+1)) |
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71 | fp.close() |
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72 | return False |
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73 | else: |
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74 | j += 1 |
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75 | try: |
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76 | angle = float(sline[0]) |
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77 | except: |
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78 | print('Unable to read angle on line '+str(i+1)) |
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79 | fp.close() |
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80 | return False |
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81 | if prevAngle is None: |
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82 | prevAngle = angle |
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83 | continue |
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84 | stepsize = (angle-prevAngle)/(vals-1) |
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85 | prevAngle = angle |
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86 | if self.stepsize is None: |
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87 | self.stepsize = stepsize |
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88 | elif abs(self.stepsize - stepsize) > max(abs(stepsize),abs(self.stepsize))/10000. : |
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89 | print('Inconsistent step size for Rigaku .txt file on line '+ |
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90 | str(i+1) + ' here '+ repr(stepsize) + ' prev '+ repr(self.stepsize)) |
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91 | fp.close() |
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92 | return False |
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93 | if j > 30: |
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94 | fp.close() |
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95 | return True |
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96 | fp.close() |
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97 | return False |
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98 | |
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99 | def Reader(self,filename, ParentFrame=None, **kwarg): |
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100 | 'Read a Rigaku .txt file' |
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101 | x = [] |
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102 | y = [] |
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103 | w = [] |
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104 | fp = open(filename,'r') |
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105 | for i,line in enumerate(fp): |
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106 | if i < self.skip: continue |
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107 | sline = line.split() |
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108 | try: |
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109 | angle = float(sline[0]) |
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110 | except: |
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111 | print('Unable to read angle on line '+str(i+1)) |
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112 | self.errors = 'Error reading line: '+str(i+1) |
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113 | return False |
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114 | for j in sline[1:]: |
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115 | x.append(angle) |
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116 | angle += self.stepsize |
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117 | try: |
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118 | y.append(float(j)) |
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119 | except: |
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120 | print('Unable to read intensity on line '+str(i+1)) |
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121 | self.errors = 'Error reading line: '+str(i+1) |
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122 | return False |
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123 | w.append(1.0/max(1.,float(j))) |
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124 | N = len(x) |
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125 | self.powderdata = [ |
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126 | np.array(x), # x-axis values |
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127 | np.array(y), # powder pattern intensities |
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128 | np.array(w), # 1/sig(intensity)^2 values (weights) |
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129 | np.zeros(N), # calc. intensities (zero) |
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130 | np.zeros(N), # calc. background (zero) |
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131 | np.zeros(N), # obs-calc profiles |
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132 | ] |
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133 | self.powderentry[0] = filename |
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134 | #self.powderentry[2] = 1 # xye file only has one bank |
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135 | self.idstring = os.path.basename(filename) |
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136 | return True |
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