| 1 | # -*- coding: utf-8 -*- |
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| 2 | ########### SVN repository information ################### |
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| 3 | # $Date: 2017-03-04 08:34:05 -0600 (Sat, 04 Mar 2017) $ |
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| 4 | # $Author: vondreele $ |
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| 5 | # $Revision: 2738 $ |
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| 6 | # $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2sad_xye.py $ |
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| 7 | # $Id: G2sad_xye.py 2738 2017-03-04 14:34:05Z vondreele $ |
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| 8 | ########### SVN repository information ################### |
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| 9 | ''' |
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| 10 | *Module G2pdf_gr: read PDF G(R) data* |
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| 11 | ------------------------------------------------ |
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| 12 | |
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| 13 | Routines to read in G(R) data from an .gr type file, with |
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| 14 | Angstrom steps. |
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| 15 | |
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| 16 | ''' |
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| 17 | |
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| 18 | from __future__ import division, print_function |
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| 19 | import os.path as ospath |
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| 20 | import numpy as np |
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| 21 | import GSASIIobj as G2obj |
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| 22 | import GSASIIpath |
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| 23 | GSASIIpath.SetVersionNumber("$Revision: 2738 $") |
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| 24 | |
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| 25 | class txt_PDFReaderClass(G2obj.ImportPDFData): |
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| 26 | 'Routines to import PDF G(R) data from a .gr file' |
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| 27 | def __init__(self): |
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| 28 | super(self.__class__,self).__init__( # fancy way to self-reference |
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| 29 | extensionlist=('.gr',), |
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| 30 | strictExtension=False, |
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| 31 | formatName = 'r (A) step G(r) data', |
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| 32 | longFormatName = 'r (A) stepped G(r) PDF data from pdfGet or GSAS-II' |
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| 33 | ) |
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| 34 | |
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| 35 | # Validate the contents -- make sure we only have valid lines |
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| 36 | def ContentsValidator(self, filename): |
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| 37 | 'Look through the file for expected types of lines in a valid r-step file' |
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| 38 | filepointer = open(filename,'r') |
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| 39 | Ndata = 0 |
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| 40 | for i,S in enumerate(filepointer): |
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| 41 | if '#L' in S[:2]: |
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| 42 | break |
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| 43 | for i,S in enumerate(filepointer): |
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| 44 | vals = S.split() |
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| 45 | if len(vals) >= 2: |
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| 46 | try: |
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| 47 | data = [float(val) for val in vals] |
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| 48 | Ndata += 1 |
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| 49 | except ValueError: |
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| 50 | pass |
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| 51 | if not Ndata: |
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| 52 | self.errors = 'No 2 or more column numeric data found' |
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| 53 | filepointer.close() |
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| 54 | return False |
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| 55 | filepointer.close() |
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| 56 | return True # no errors encountered |
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| 57 | |
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| 58 | def Reader(self,filename,ParentFrame=None, **unused): |
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| 59 | print ('Read a q-step text file') |
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| 60 | x = [] |
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| 61 | y = [] |
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| 62 | ifData = False |
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| 63 | filepointer = open(filename,'r') |
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| 64 | for i,S in enumerate(filepointer): |
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| 65 | if not ifData: |
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| 66 | if len(S) == 1: #skip blank line |
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| 67 | continue |
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| 68 | self.comments.append(S[:-1]) |
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| 69 | if '#L' in S[:2]: |
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| 70 | ifData = True |
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| 71 | else: |
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| 72 | vals = S.split() |
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| 73 | if len(vals) >= 2: |
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| 74 | try: |
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| 75 | data = [float(val) for val in vals] |
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| 76 | x.append(float(data[0])) |
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| 77 | y.append(float(data[1])) |
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| 78 | except ValueError: |
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| 79 | msg = 'Error in line '+str(i+1) |
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| 80 | print (msg) |
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| 81 | continue |
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| 82 | self.pdfdata = np.array([ |
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| 83 | np.array(x), # x-axis values r |
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| 84 | np.array(y), # pdf g(r) |
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| 85 | ]) |
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| 86 | self.pdfentry[0] = filename |
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| 87 | self.pdfentry[2] = 1 # xy file only has one bank |
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| 88 | self.idstring = ospath.basename(filename) |
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| 89 | |
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| 90 | return True |
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| 91 | |
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