| 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 | import sys |
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| 10 | import os |
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| 11 | import numpy as np |
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| 12 | import GSASIIIO as G2IO |
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| 13 | import GSASIIpath |
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| 14 | GSASIIpath.SetVersionNumber("$Revision: $") |
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| 15 | class Rigaku_ReaderClass(G2IO.ImportPowderData): |
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| 16 | '''Routines to import powder data from a Rigaku .txt file with an angle and |
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| 17 | then 1 or 11(!) intensity values on the line. The example file is proceeded |
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| 18 | with 10 of blank lines, but I have assumed they could be any sort of text. |
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| 19 | This code should work with an angle and any number of intensity values/line |
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| 20 | as long as the number is the same on each line. The step size may not change. The |
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| 21 | number of comment lines can also change, but should not appear to be intensity |
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| 22 | values (numbers only). |
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| 23 | ''' |
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| 24 | def __init__(self): |
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| 25 | super(self.__class__,self).__init__( # fancy way to self-reference |
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| 26 | extensionlist=('.txt','.TXT'), |
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| 27 | strictExtension=True, |
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| 28 | formatName = 'Rigaku .txt exported', |
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| 29 | longFormatName = 'Rigaku powder data exported as .txt' |
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| 30 | ) |
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| 31 | self.vals = None |
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| 32 | self.stepsize = None |
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| 33 | self.skip = 0 |
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| 34 | |
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| 35 | # Validate the contents -- make sure we only have valid lines and set |
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| 36 | # values we will need for later read. |
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| 37 | def ContentsValidator(self, filepointer): |
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| 38 | self.vals = None |
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| 39 | self.stepsize = None |
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| 40 | j = 0 |
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| 41 | prevAngle = None |
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| 42 | header = True |
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| 43 | self.skip = -1 |
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| 44 | for i,line in enumerate(filepointer): |
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| 45 | sline = line.split() |
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| 46 | vals = len(sline) |
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| 47 | if header: |
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| 48 | self.skip += 1 |
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| 49 | if not line.strip(): continue # ignore blank lines |
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| 50 | err = False |
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| 51 | for item in sline: |
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| 52 | try: |
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| 53 | float(item) |
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| 54 | except: |
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| 55 | err = True |
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| 56 | break |
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| 57 | if err: continue |
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| 58 | if vals < 1: continue |
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| 59 | header = False # found first non-header line |
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| 60 | if vals < 2: |
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| 61 | print('Too few values for Rigaku .txt file') |
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| 62 | return False |
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| 63 | if self.vals is None: |
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| 64 | self.vals = vals |
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| 65 | elif self.vals != vals: |
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| 66 | print('Inconsistent numbers values for Rigaku .txt file on line '+ |
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| 67 | str(i+1)) |
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| 68 | return False |
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| 69 | else: |
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| 70 | j += 1 |
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| 71 | try: |
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| 72 | angle = float(sline[0]) |
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| 73 | except: |
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| 74 | print('Unable to read angle on line '+str(i+1)) |
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| 75 | return False |
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| 76 | if prevAngle is None: |
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| 77 | prevAngle = angle |
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| 78 | continue |
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| 79 | stepsize = (angle-prevAngle)/(vals-1) |
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| 80 | prevAngle = angle |
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| 81 | if self.stepsize is None: |
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| 82 | self.stepsize = stepsize |
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| 83 | elif abs(self.stepsize - stepsize) > max(abs(stepsize),abs(self.stepsize))/10000. : |
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| 84 | print('Inconsistent step size for Rigaku .txt file on line '+ |
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| 85 | str(i+1) + ' here '+ repr(stepsize) + ' prev '+ repr(self.stepsize)) |
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| 86 | return False |
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| 87 | if j > 30: return True |
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| 88 | return False |
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| 89 | |
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| 90 | def Reader(self,filename,filepointer, ParentFrame=None, **kwarg): |
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| 91 | 'Read a Rigaku .txt file' |
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| 92 | x = [] |
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| 93 | y = [] |
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| 94 | w = [] |
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| 95 | for i,line in enumerate(filepointer): |
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| 96 | if i < self.skip: continue |
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| 97 | sline = line.split() |
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| 98 | try: |
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| 99 | angle = float(sline[0]) |
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| 100 | except: |
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| 101 | print('Unable to read angle on line '+str(i+1)) |
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| 102 | self.errors = 'Error reading line: '+str(i+1) |
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| 103 | return False |
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| 104 | for j in sline[1:]: |
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| 105 | x.append(angle) |
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| 106 | angle += self.stepsize |
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| 107 | try: |
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| 108 | y.append(float(j)) |
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| 109 | except: |
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| 110 | print('Unable to read intensity on line '+str(i+1)) |
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| 111 | self.errors = 'Error reading line: '+str(i+1) |
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| 112 | return False |
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| 113 | w.append(1.0/max(1.,float(j))) |
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| 114 | N = len(x) |
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| 115 | self.powderdata = [ |
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| 116 | np.array(x), # x-axis values |
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| 117 | np.array(y), # powder pattern intensities |
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| 118 | np.array(w), # 1/sig(intensity)^2 values (weights) |
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| 119 | np.zeros(N), # calc. intensities (zero) |
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| 120 | np.zeros(N), # calc. background (zero) |
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| 121 | np.zeros(N), # obs-calc profiles |
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| 122 | ] |
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| 123 | self.powderentry[0] = filename |
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| 124 | self.powderentry[2] = 1 # xye file only has one bank |
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| 125 | self.idstring = os.path.basename(filename) |
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| 126 | return True |
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