1 | """ |
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2 | CanSAS data reader |
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3 | """ |
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4 | ############################################################################ |
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5 | #This software was developed by the University of Tennessee as part of the |
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6 | #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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7 | #project funded by the US National Science Foundation. |
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8 | #If you use DANSE applications to do scientific research that leads to |
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9 | #publication, we ask that you acknowledge the use of the software with the |
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10 | #following sentence: |
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11 | #This work benefited from DANSE software developed under NSF award DMR-0520547. |
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12 | #copyright 2008,2009 University of Tennessee |
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13 | ############################################################################# |
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14 | |
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15 | # Known issue: reader not compatible with multiple SASdata entries |
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16 | # within a single SASentry. Will raise a runtime error. |
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17 | |
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18 | #TODO: check that all vectors are written only if they have at |
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19 | # least one non-empty value |
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20 | #TODO: Writing only allows one SASentry per file. |
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21 | # Would be best to allow multiple entries. |
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22 | #TODO: Store error list |
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23 | #TODO: Allow for additional meta data for each section |
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24 | #TODO: Notes need to be implemented. They can be any XML |
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25 | # structure in version 1.0 |
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26 | # Process notes have the same problem. |
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27 | #TODO: Unit conversion is not complete (temperature units are missing) |
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28 | |
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29 | import logging |
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30 | import numpy |
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31 | import os |
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32 | import sys |
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33 | from sans.dataloader.data_info import Data1D |
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34 | from sans.dataloader.data_info import Collimation |
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35 | from sans.dataloader.data_info import Detector |
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36 | from sans.dataloader.data_info import Process |
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37 | from sans.dataloader.data_info import Aperture |
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38 | from lxml import etree |
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39 | import xml.dom.minidom |
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40 | _ZERO = 1e-16 |
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41 | HAS_CONVERTER = True |
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42 | try: |
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43 | from data_util.nxsunit import Converter |
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44 | except: |
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45 | HAS_CONVERTER = False |
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46 | |
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47 | CANSAS_NS = "cansas1d/1.0" |
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48 | ALLOW_ALL = True |
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49 | |
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50 | |
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51 | def write_node(doc, parent, name, value, attr={}): |
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52 | """ |
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53 | :param doc: document DOM |
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54 | :param parent: parent node |
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55 | :param name: tag of the element |
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56 | :param value: value of the child text node |
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57 | :param attr: attribute dictionary |
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58 | |
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59 | :return: True if something was appended, otherwise False |
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60 | """ |
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61 | if value is not None: |
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62 | node = doc.createElement(name) |
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63 | node.appendChild(doc.createTextNode(str(value))) |
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64 | for item in attr: |
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65 | node.setAttribute(item, attr[item]) |
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66 | parent.appendChild(node) |
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67 | return True |
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68 | return False |
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69 | |
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70 | |
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71 | def get_content(location, node): |
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72 | """ |
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73 | Get the first instance of the content of a xpath location. |
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74 | |
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75 | :param location: xpath location |
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76 | :param node: node to start at |
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77 | |
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78 | :return: Element, or None |
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79 | """ |
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80 | nodes = node.xpath(location, namespaces={'ns': CANSAS_NS}) |
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81 | |
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82 | if len(nodes) > 0: |
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83 | return nodes[0] |
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84 | else: |
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85 | return None |
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86 | |
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87 | |
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88 | def get_float(location, node): |
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89 | """ |
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90 | Get the content of a node as a float |
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91 | |
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92 | :param location: xpath location |
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93 | :param node: node to start at |
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94 | """ |
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95 | nodes = node.xpath(location, namespaces={'ns': CANSAS_NS}) |
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96 | |
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97 | value = None |
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98 | attr = {} |
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99 | if len(nodes) > 0: |
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100 | try: |
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101 | value = float(nodes[0].text) |
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102 | except: |
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103 | # Could not pass, skip and return None |
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104 | msg = "cansas_reader.get_float: could not " |
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105 | msg += " convert '%s' to float" % nodes[0].text |
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106 | logging.error(msg) |
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107 | if nodes[0].get('unit') is not None: |
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108 | attr['unit'] = nodes[0].get('unit') |
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109 | return value, attr |
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110 | |
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111 | |
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112 | class Reader: |
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113 | """ |
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114 | Class to load cansas 1D XML files |
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115 | |
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116 | :Dependencies: |
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117 | The CanSas reader requires PyXML 0.8.4 or later. |
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118 | """ |
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119 | ## CanSAS version |
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120 | version = '1.0' |
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121 | ## File type |
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122 | type_name = "CanSAS 1D" |
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123 | ## Wildcards |
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124 | type = ["CanSAS 1D files (*.xml)|*.xml", |
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125 | "CanSAS 1D AVE files (*.AVEx)|*.AVEx", |
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126 | "CanSAS 1D AVE files (*.ABSx)|*.ABSx"] |
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127 | |
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128 | ## List of allowed extensions |
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129 | ext = ['.xml', '.XML', '.avex', '.AVEx', '.absx', 'ABSx'] |
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130 | |
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131 | def __init__(self): |
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132 | ## List of errors |
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133 | self.errors = [] |
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134 | |
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135 | def read(self, path): |
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136 | """ |
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137 | Load data file |
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138 | |
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139 | :param path: file path |
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140 | |
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141 | :return: Data1D object if a single SASentry was found, |
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142 | or a list of Data1D objects if multiple entries were found, |
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143 | or None of nothing was found |
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144 | |
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145 | :raise RuntimeError: when the file can't be opened |
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146 | :raise ValueError: when the length of the data vectors are inconsistent |
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147 | """ |
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148 | output = [] |
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149 | if os.path.isfile(path): |
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150 | basename = os.path.basename(path) |
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151 | root, extension = os.path.splitext(basename) |
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152 | if ALLOW_ALL or extension.lower() in self.ext: |
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153 | try: |
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154 | tree = etree.parse(path, parser=etree.ETCompatXMLParser()) |
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155 | # Check the format version number |
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156 | # Specifying the namespace will take care of the file |
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157 | # format version |
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158 | root = tree.getroot() |
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159 | |
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160 | entry_list = root.xpath('/ns:SASroot/ns:SASentry', |
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161 | namespaces={'ns': CANSAS_NS}) |
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162 | |
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163 | for entry in entry_list: |
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164 | self.errors = [] |
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165 | sas_entry = self._parse_entry(entry) |
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166 | sas_entry.filename = basename |
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167 | |
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168 | # Store loading process information |
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169 | sas_entry.errors = self.errors |
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170 | sas_entry.meta_data['loader'] = self.type_name |
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171 | output.append(sas_entry) |
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172 | except: |
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173 | raise RuntimeError, "%s cannot be read \n" % path |
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174 | else: |
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175 | raise RuntimeError, "%s is not a file" % path |
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176 | # Return output consistent with the loader's api |
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177 | if len(output) == 0: |
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178 | #cannot return none when it cannot read |
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179 | #return None |
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180 | raise RuntimeError, "%s cannot be read \n" % path |
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181 | elif len(output) == 1: |
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182 | return output[0] |
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183 | else: |
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184 | return output |
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185 | |
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186 | def _parse_entry(self, dom): |
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187 | """ |
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188 | Parse a SASentry |
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189 | |
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190 | :param node: SASentry node |
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191 | |
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192 | :return: Data1D object |
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193 | """ |
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194 | x = numpy.zeros(0) |
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195 | y = numpy.zeros(0) |
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196 | |
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197 | data_info = Data1D(x, y) |
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198 | |
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199 | # Look up title |
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200 | self._store_content('ns:Title', dom, 'title', data_info) |
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201 | |
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202 | # Look up run number |
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203 | nodes = dom.xpath('ns:Run', namespaces={'ns': CANSAS_NS}) |
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204 | for item in nodes: |
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205 | if item.text is not None: |
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206 | value = item.text.strip() |
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207 | if len(value) > 0: |
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208 | data_info.run.append(value) |
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209 | if item.get('name') is not None: |
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210 | data_info.run_name[value] = item.get('name') |
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211 | |
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212 | # Look up instrument name |
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213 | self._store_content('ns:SASinstrument/ns:name', dom, 'instrument', |
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214 | data_info) |
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215 | |
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216 | # Notes |
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217 | note_list = dom.xpath('ns:SASnote', namespaces={'ns': CANSAS_NS}) |
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218 | for note in note_list: |
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219 | try: |
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220 | if note.text is not None: |
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221 | note_value = note.text.strip() |
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222 | if len(note_value) > 0: |
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223 | data_info.notes.append(note_value) |
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224 | except: |
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225 | err_mess = "cansas_reader.read: error processing" |
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226 | err_mess += " entry notes\n %s" % sys.exc_value |
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227 | self.errors.append(err_mess) |
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228 | logging.error(err_mess) |
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229 | |
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230 | # Sample info ################### |
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231 | entry = get_content('ns:SASsample', dom) |
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232 | if entry is not None: |
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233 | data_info.sample.name = entry.get('name') |
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234 | |
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235 | self._store_content('ns:SASsample/ns:ID', |
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236 | dom, 'ID', data_info.sample) |
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237 | self._store_float('ns:SASsample/ns:thickness', |
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238 | dom, 'thickness', data_info.sample) |
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239 | self._store_float('ns:SASsample/ns:transmission', |
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240 | dom, 'transmission', data_info.sample) |
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241 | self._store_float('ns:SASsample/ns:temperature', |
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242 | dom, 'temperature', data_info.sample) |
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243 | |
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244 | nodes = dom.xpath('ns:SASsample/ns:details', |
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245 | namespaces={'ns': CANSAS_NS}) |
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246 | for item in nodes: |
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247 | try: |
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248 | if item.text is not None: |
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249 | detail_value = item.text.strip() |
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250 | if len(detail_value) > 0: |
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251 | data_info.sample.details.append(detail_value) |
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252 | except: |
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253 | err_mess = "cansas_reader.read: error processing " |
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254 | err_mess += " sample details\n %s" % sys.exc_value |
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255 | self.errors.append(err_mess) |
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256 | logging.error(err_mess) |
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257 | |
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258 | # Position (as a vector) |
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259 | self._store_float('ns:SASsample/ns:position/ns:x', |
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260 | dom, 'position.x', data_info.sample) |
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261 | self._store_float('ns:SASsample/ns:position/ns:y', |
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262 | dom, 'position.y', data_info.sample) |
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263 | self._store_float('ns:SASsample/ns:position/ns:z', |
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264 | dom, 'position.z', data_info.sample) |
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265 | |
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266 | # Orientation (as a vector) |
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267 | self._store_float('ns:SASsample/ns:orientation/ns:roll', |
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268 | dom, 'orientation.x', data_info.sample) |
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269 | self._store_float('ns:SASsample/ns:orientation/ns:pitch', |
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270 | dom, 'orientation.y', data_info.sample) |
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271 | self._store_float('ns:SASsample/ns:orientation/ns:yaw', |
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272 | dom, 'orientation.z', data_info.sample) |
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273 | |
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274 | # Source info ################### |
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275 | entry = get_content('ns:SASinstrument/ns:SASsource', dom) |
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276 | if entry is not None: |
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277 | data_info.source.name = entry.get('name') |
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278 | |
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279 | self._store_content('ns:SASinstrument/ns:SASsource/ns:radiation', |
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280 | dom, 'radiation', data_info.source) |
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281 | self._store_content('ns:SASinstrument/ns:SASsource/ns:beam_shape', |
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282 | dom, 'beam_shape', data_info.source) |
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283 | self._store_float('ns:SASinstrument/ns:SASsource/ns:wavelength', |
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284 | dom, 'wavelength', data_info.source) |
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285 | self._store_float('ns:SASinstrument/ns:SASsource/ns:wavelength_min', |
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286 | dom, 'wavelength_min', data_info.source) |
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287 | self._store_float('ns:SASinstrument/ns:SASsource/ns:wavelength_max', |
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288 | dom, 'wavelength_max', data_info.source) |
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289 | self._store_float('ns:SASinstrument/ns:SASsource/ns:wavelength_spread', |
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290 | dom, 'wavelength_spread', data_info.source) |
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291 | |
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292 | # Beam size (as a vector) |
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293 | entry = get_content('ns:SASinstrument/ns:SASsource/ns:beam_size', dom) |
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294 | if entry is not None: |
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295 | data_info.source.beam_size_name = entry.get('name') |
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296 | |
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297 | self._store_float('ns:SASinstrument/ns:SASsource/ns:beam_size/ns:x', |
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298 | dom, 'beam_size.x', data_info.source) |
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299 | self._store_float('ns:SASinstrument/ns:SASsource/ns:beam_size/ns:y', |
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300 | dom, 'beam_size.y', data_info.source) |
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301 | self._store_float('ns:SASinstrument/ns:SASsource/ns:beam_size/ns:z', |
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302 | dom, 'beam_size.z', data_info.source) |
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303 | |
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304 | # Collimation info ################### |
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305 | nodes = dom.xpath('ns:SASinstrument/ns:SAScollimation', |
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306 | namespaces={'ns': CANSAS_NS}) |
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307 | for item in nodes: |
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308 | collim = Collimation() |
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309 | if item.get('name') is not None: |
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310 | collim.name = item.get('name') |
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311 | self._store_float('ns:length', item, 'length', collim) |
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312 | |
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313 | # Look for apertures |
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314 | apert_list = item.xpath('ns:aperture', namespaces={'ns': CANSAS_NS}) |
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315 | for apert in apert_list: |
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316 | aperture = Aperture() |
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317 | |
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318 | # Get the name and type of the aperture |
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319 | aperture.name = apert.get('name') |
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320 | aperture.type = apert.get('type') |
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321 | |
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322 | self._store_float('ns:distance', apert, 'distance', aperture) |
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323 | |
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324 | entry = get_content('ns:size', apert) |
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325 | if entry is not None: |
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326 | aperture.size_name = entry.get('name') |
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327 | |
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328 | self._store_float('ns:size/ns:x', apert, 'size.x', aperture) |
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329 | self._store_float('ns:size/ns:y', apert, 'size.y', aperture) |
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330 | self._store_float('ns:size/ns:z', apert, 'size.z', aperture) |
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331 | |
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332 | collim.aperture.append(aperture) |
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333 | |
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334 | data_info.collimation.append(collim) |
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335 | |
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336 | # Detector info ###################### |
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337 | nodes = dom.xpath('ns:SASinstrument/ns:SASdetector', |
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338 | namespaces={'ns': CANSAS_NS}) |
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339 | for item in nodes: |
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340 | |
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341 | detector = Detector() |
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342 | |
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343 | self._store_content('ns:name', item, 'name', detector) |
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344 | self._store_float('ns:SDD', item, 'distance', detector) |
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345 | |
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346 | # Detector offset (as a vector) |
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347 | self._store_float('ns:offset/ns:x', item, 'offset.x', detector) |
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348 | self._store_float('ns:offset/ns:y', item, 'offset.y', detector) |
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349 | self._store_float('ns:offset/ns:z', item, 'offset.z', detector) |
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350 | |
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351 | # Detector orientation (as a vector) |
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352 | self._store_float('ns:orientation/ns:roll', item, 'orientation.x', |
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353 | detector) |
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354 | self._store_float('ns:orientation/ns:pitch', item, 'orientation.y', |
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355 | detector) |
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356 | self._store_float('ns:orientation/ns:yaw', item, 'orientation.z', |
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357 | detector) |
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358 | |
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359 | # Beam center (as a vector) |
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360 | self._store_float('ns:beam_center/ns:x', item, 'beam_center.x', |
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361 | detector) |
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362 | self._store_float('ns:beam_center/ns:y', item, 'beam_center.y', |
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363 | detector) |
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364 | self._store_float('ns:beam_center/ns:z', item, 'beam_center.z', |
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365 | detector) |
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366 | |
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367 | # Pixel size (as a vector) |
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368 | self._store_float('ns:pixel_size/ns:x', item, 'pixel_size.x', |
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369 | detector) |
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370 | self._store_float('ns:pixel_size/ns:y', item, 'pixel_size.y', |
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371 | detector) |
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372 | self._store_float('ns:pixel_size/ns:z', item, 'pixel_size.z', |
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373 | detector) |
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374 | |
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375 | self._store_float('ns:slit_length', item, 'slit_length', detector) |
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376 | |
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377 | data_info.detector.append(detector) |
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378 | |
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379 | # Processes info ###################### |
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380 | nodes = dom.xpath('ns:SASprocess', namespaces={'ns': CANSAS_NS}) |
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381 | for item in nodes: |
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382 | process = Process() |
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383 | self._store_content('ns:name', item, 'name', process) |
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384 | self._store_content('ns:date', item, 'date', process) |
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385 | self._store_content('ns:description', item, 'description', process) |
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386 | |
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387 | term_list = item.xpath('ns:term', namespaces={'ns': CANSAS_NS}) |
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388 | for term in term_list: |
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389 | try: |
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390 | term_attr = {} |
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391 | for attr in term.keys(): |
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392 | term_attr[attr] = term.get(attr).strip() |
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393 | if term.text is not None: |
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394 | term_attr['value'] = term.text.strip() |
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395 | process.term.append(term_attr) |
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396 | except: |
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397 | err_mess = "cansas_reader.read: error processing " |
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398 | err_mess += " process term\n %s" % sys.exc_value |
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399 | self.errors.append(err_mess) |
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400 | logging.error(err_mess) |
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401 | |
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402 | note_list = item.xpath('ns:SASprocessnote', |
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403 | namespaces={'ns': CANSAS_NS}) |
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404 | for note in note_list: |
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405 | if note.text is not None: |
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406 | process.notes.append(note.text.strip()) |
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407 | |
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408 | data_info.process.append(process) |
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409 | |
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410 | # Data info ###################### |
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411 | nodes = dom.xpath('ns:SASdata', namespaces={'ns': CANSAS_NS}) |
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412 | if len(nodes) > 1: |
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413 | msg = "CanSAS reader is not compatible with multiple" |
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414 | msg += " SASdata entries" |
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415 | raise RuntimeError, msg |
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416 | |
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417 | nodes = dom.xpath('ns:SASdata/ns:Idata', namespaces={'ns': CANSAS_NS}) |
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418 | |
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419 | x = numpy.zeros(0) |
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420 | y = numpy.zeros(0) |
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421 | dx = numpy.zeros(0) |
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422 | dy = numpy.zeros(0) |
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423 | dxw = numpy.zeros(0) |
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424 | dxl = numpy.zeros(0) |
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425 | |
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426 | for item in nodes: |
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427 | _x, attr = get_float('ns:Q', item) |
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428 | _dx, attr_d = get_float('ns:Qdev', item) |
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429 | _dxl, attr_l = get_float('ns:dQl', item) |
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430 | _dxw, attr_w = get_float('ns:dQw', item) |
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431 | if _dx == None: |
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432 | _dx = 0.0 |
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433 | if _dxl == None: |
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434 | _dxl = 0.0 |
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435 | if _dxw == None: |
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436 | _dxw = 0.0 |
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437 | |
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438 | if 'unit' in attr and \ |
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439 | attr['unit'].lower() != data_info.x_unit.lower(): |
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440 | if HAS_CONVERTER == True: |
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441 | try: |
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442 | data_conv_q = Converter(attr['unit']) |
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443 | _x = data_conv_q(_x, units=data_info.x_unit) |
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444 | except: |
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445 | msg = "CanSAS reader: could not convert " |
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446 | msg += "Q unit [%s]; " % attr['unit'], |
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447 | msg += "expecting [%s]\n %s" % (data_info.x_unit, |
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448 | sys.exc_value) |
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449 | raise ValueError, msg |
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450 | |
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451 | else: |
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452 | msg = "CanSAS reader: unrecognized Q unit [%s]; "\ |
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453 | % attr['unit'] |
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454 | msg += "expecting [%s]" % data_info.x_unit |
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455 | raise ValueError, msg |
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456 | |
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457 | # Error in Q |
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458 | if 'unit' in attr_d and \ |
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459 | attr_d['unit'].lower() != data_info.x_unit.lower(): |
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460 | if HAS_CONVERTER == True: |
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461 | try: |
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462 | data_conv_q = Converter(attr_d['unit']) |
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463 | _dx = data_conv_q(_dx, units=data_info.x_unit) |
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464 | except: |
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465 | msg = "CanSAS reader: could not convert dQ unit [%s]; "\ |
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466 | % attr['unit'] |
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467 | msg += " expecting " |
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468 | msg += "[%s]\n %s" % (data_info.x_unit, sys.exc_value) |
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469 | raise ValueError, msg |
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470 | |
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471 | else: |
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472 | msg = "CanSAS reader: unrecognized dQ unit [%s]; "\ |
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473 | % attr['unit'] |
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474 | msg += "expecting [%s]" % data_info.x_unit |
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475 | raise ValueError, msg |
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476 | |
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477 | # Slit length |
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478 | if 'unit' in attr_l and \ |
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479 | attr_l['unit'].lower() != data_info.x_unit.lower(): |
---|
480 | if HAS_CONVERTER == True: |
---|
481 | try: |
---|
482 | data_conv_q = Converter(attr_l['unit']) |
---|
483 | _dxl = data_conv_q(_dxl, units=data_info.x_unit) |
---|
484 | except: |
---|
485 | msg = "CanSAS reader: could not convert dQl unit [%s];"\ |
---|
486 | % attr['unit'] |
---|
487 | msg += " expecting [%s]\n %s" % (data_info.x_unit, |
---|
488 | sys.exc_value) |
---|
489 | raise ValueError, msg |
---|
490 | else: |
---|
491 | msg = "CanSAS reader: unrecognized dQl unit [%s];"\ |
---|
492 | % attr['unit'] |
---|
493 | msg += " expecting [%s]" % data_info.x_unit |
---|
494 | raise ValueError, msg |
---|
495 | |
---|
496 | # Slit width |
---|
497 | if 'unit' in attr_w and \ |
---|
498 | attr_w['unit'].lower() != data_info.x_unit.lower(): |
---|
499 | if HAS_CONVERTER == True: |
---|
500 | try: |
---|
501 | data_conv_q = Converter(attr_w['unit']) |
---|
502 | _dxw = data_conv_q(_dxw, units=data_info.x_unit) |
---|
503 | except: |
---|
504 | msg = "CanSAS reader: could not convert dQw unit [%s];"\ |
---|
505 | % attr['unit'] |
---|
506 | msg += " expecting [%s]\n %s" % (data_info.x_unit, |
---|
507 | sys.exc_value) |
---|
508 | raise ValueError, msg |
---|
509 | |
---|
510 | else: |
---|
511 | msg = "CanSAS reader: unrecognized dQw unit [%s];"\ |
---|
512 | % attr['unit'] |
---|
513 | msg += " expecting [%s]" % data_info.x_unit |
---|
514 | raise ValueError, msg |
---|
515 | _y, attr = get_float('ns:I', item) |
---|
516 | _dy, attr_d = get_float('ns:Idev', item) |
---|
517 | if _dy == None: |
---|
518 | _dy = 0.0 |
---|
519 | if 'unit' in attr and \ |
---|
520 | attr['unit'].lower() != data_info.y_unit.lower(): |
---|
521 | if HAS_CONVERTER == True: |
---|
522 | try: |
---|
523 | data_conv_i = Converter(attr['unit']) |
---|
524 | _y = data_conv_i(_y, units=data_info.y_unit) |
---|
525 | except: |
---|
526 | if attr['unit'].lower() == 'count': |
---|
527 | pass |
---|
528 | else: |
---|
529 | msg = "CanSAS reader: could not" |
---|
530 | msg += " convert I(q) unit [%s];" % str(attr['unit']) |
---|
531 | msg += " expecting [%s]\n" % str(data_info.y_unit) |
---|
532 | msg += " %s" % str(sys.exc_value) |
---|
533 | raise ValueError, msg |
---|
534 | else: |
---|
535 | msg = "CanSAS reader: unrecognized I(q) unit [%s];"\ |
---|
536 | % attr['unit'] |
---|
537 | msg += " expecting [%s]" % data_info.y_unit |
---|
538 | raise ValueError, msg |
---|
539 | |
---|
540 | if 'unit' in attr_d and \ |
---|
541 | attr_d['unit'].lower() != data_info.y_unit.lower(): |
---|
542 | if HAS_CONVERTER == True: |
---|
543 | try: |
---|
544 | data_conv_i = Converter(attr_d['unit']) |
---|
545 | _dy = data_conv_i(_dy, units=data_info.y_unit) |
---|
546 | except: |
---|
547 | if attr_d['unit'].lower() == 'count': |
---|
548 | pass |
---|
549 | else: |
---|
550 | msg = "CanSAS reader: could not convert dI(q) unit " |
---|
551 | msg += "[%s]; expecting [%s]\n %s" % (attr_d['unit'], |
---|
552 | data_info.y_unit, sys.exc_value) |
---|
553 | raise ValueError, msg |
---|
554 | else: |
---|
555 | msg = "CanSAS reader: unrecognized dI(q) unit [%s]; "\ |
---|
556 | % attr_d['unit'] |
---|
557 | msg += "expecting [%s]" % data_info.y_unit |
---|
558 | raise ValueError, msg |
---|
559 | |
---|
560 | if _x is not None and _y is not None: |
---|
561 | x = numpy.append(x, _x) |
---|
562 | y = numpy.append(y, _y) |
---|
563 | dx = numpy.append(dx, _dx) |
---|
564 | dy = numpy.append(dy, _dy) |
---|
565 | dxl = numpy.append(dxl, _dxl) |
---|
566 | dxw = numpy.append(dxw, _dxw) |
---|
567 | # Zeros in dx, dy |
---|
568 | if not numpy.all(dx == 0): |
---|
569 | dx[dx == 0] = _ZERO |
---|
570 | if not numpy.all(dy == 0): |
---|
571 | dy[dy == 0] = _ZERO |
---|
572 | |
---|
573 | data_info.x = x[x != 0] |
---|
574 | data_info.y = y[x != 0] |
---|
575 | data_info.dx = dx[x != 0] |
---|
576 | |
---|
577 | data_info.dy = dy[x != 0] |
---|
578 | data_info.dxl = dxl[x != 0] |
---|
579 | data_info.dxw = dxw[x != 0] |
---|
580 | |
---|
581 | data_conv_q = None |
---|
582 | data_conv_i = None |
---|
583 | |
---|
584 | if HAS_CONVERTER == True and data_info.x_unit != '1/A': |
---|
585 | data_conv_q = Converter('1/A') |
---|
586 | # Test it |
---|
587 | data_conv_q(1.0, output.Q_unit) |
---|
588 | |
---|
589 | if HAS_CONVERTER == True and data_info.y_unit != '1/cm': |
---|
590 | data_conv_i = Converter('1/cm') |
---|
591 | # Test it |
---|
592 | data_conv_i(1.0, output.I_unit) |
---|
593 | |
---|
594 | if data_conv_q is not None: |
---|
595 | data_info.xaxis("\\rm{Q}", data_info.x_unit) |
---|
596 | else: |
---|
597 | data_info.xaxis("\\rm{Q}", 'A^{-1}') |
---|
598 | if data_conv_i is not None: |
---|
599 | data_info.yaxis("\\rm{Intensity}", data_info.y_unit) |
---|
600 | else: |
---|
601 | data_info.yaxis("\\rm{Intensity}", "cm^{-1}") |
---|
602 | |
---|
603 | return data_info |
---|
604 | |
---|
605 | def _to_xml_doc(self, datainfo): |
---|
606 | """ |
---|
607 | Create an XML document to contain the content of a Data1D |
---|
608 | |
---|
609 | :param datainfo: Data1D object |
---|
610 | """ |
---|
611 | |
---|
612 | if not issubclass(datainfo.__class__, Data1D): |
---|
613 | raise RuntimeError, "The cansas writer expects a Data1D instance" |
---|
614 | |
---|
615 | doc = xml.dom.minidom.Document() |
---|
616 | main_node = doc.createElement("SASroot") |
---|
617 | main_node.setAttribute("version", self.version) |
---|
618 | main_node.setAttribute("xmlns", "cansas1d/%s" % self.version) |
---|
619 | main_node.setAttribute("xmlns:xsi", |
---|
620 | "http://www.w3.org/2001/XMLSchema-instance") |
---|
621 | main_node.setAttribute("xsi:schemaLocation", |
---|
622 | "cansas1d/%s http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd" % self.version) |
---|
623 | |
---|
624 | doc.appendChild(main_node) |
---|
625 | |
---|
626 | entry_node = doc.createElement("SASentry") |
---|
627 | main_node.appendChild(entry_node) |
---|
628 | |
---|
629 | write_node(doc, entry_node, "Title", datainfo.title) |
---|
630 | for item in datainfo.run: |
---|
631 | runname = {} |
---|
632 | if item in datainfo.run_name and \ |
---|
633 | len(str(datainfo.run_name[item])) > 1: |
---|
634 | runname = {'name': datainfo.run_name[item]} |
---|
635 | write_node(doc, entry_node, "Run", item, runname) |
---|
636 | |
---|
637 | # Data info |
---|
638 | node = doc.createElement("SASdata") |
---|
639 | entry_node.appendChild(node) |
---|
640 | |
---|
641 | for i in range(len(datainfo.x)): |
---|
642 | pt = doc.createElement("Idata") |
---|
643 | node.appendChild(pt) |
---|
644 | write_node(doc, pt, "Q", datainfo.x[i], {'unit': datainfo.x_unit}) |
---|
645 | if len(datainfo.y) >= i: |
---|
646 | write_node(doc, pt, "I", datainfo.y[i], |
---|
647 | {'unit': datainfo.y_unit}) |
---|
648 | if datainfo.dx != None and len(datainfo.dx) >= i: |
---|
649 | write_node(doc, pt, "Qdev", datainfo.dx[i], |
---|
650 | {'unit': datainfo.x_unit}) |
---|
651 | if datainfo.dxl != None and len(datainfo.dxl) >= i: |
---|
652 | write_node(doc, pt, "dQl", datainfo.dxl[i], |
---|
653 | {'unit': datainfo.x_unit}) |
---|
654 | if datainfo.dxw != None and len(datainfo.dxw) >= i: |
---|
655 | write_node(doc, pt, "dQw", datainfo.dxw[i], |
---|
656 | {'unit': datainfo.x_unit}) |
---|
657 | if datainfo.dy != None and len(datainfo.dy) >= i: |
---|
658 | write_node(doc, pt, "Idev", datainfo.dy[i], |
---|
659 | {'unit': datainfo.y_unit}) |
---|
660 | |
---|
661 | # Sample info |
---|
662 | sample = doc.createElement("SASsample") |
---|
663 | if datainfo.sample.name is not None: |
---|
664 | sample.setAttribute("name", str(datainfo.sample.name)) |
---|
665 | entry_node.appendChild(sample) |
---|
666 | write_node(doc, sample, "ID", str(datainfo.sample.ID)) |
---|
667 | write_node(doc, sample, "thickness", datainfo.sample.thickness, |
---|
668 | {"unit": datainfo.sample.thickness_unit}) |
---|
669 | write_node(doc, sample, "transmission", datainfo.sample.transmission) |
---|
670 | write_node(doc, sample, "temperature", datainfo.sample.temperature, |
---|
671 | {"unit": datainfo.sample.temperature_unit}) |
---|
672 | |
---|
673 | for item in datainfo.sample.details: |
---|
674 | write_node(doc, sample, "details", item) |
---|
675 | |
---|
676 | pos = doc.createElement("position") |
---|
677 | written = write_node(doc, pos, "x", datainfo.sample.position.x, |
---|
678 | {"unit": datainfo.sample.position_unit}) |
---|
679 | written = written | write_node(doc, pos, "y", |
---|
680 | datainfo.sample.position.y, |
---|
681 | {"unit": datainfo.sample.position_unit}) |
---|
682 | written = written | write_node(doc, pos, "z", |
---|
683 | datainfo.sample.position.z, |
---|
684 | {"unit": datainfo.sample.position_unit}) |
---|
685 | if written == True: |
---|
686 | sample.appendChild(pos) |
---|
687 | |
---|
688 | ori = doc.createElement("orientation") |
---|
689 | written = write_node(doc, ori, "roll", |
---|
690 | datainfo.sample.orientation.x, |
---|
691 | {"unit": datainfo.sample.orientation_unit}) |
---|
692 | written = written | write_node(doc, ori, "pitch", |
---|
693 | datainfo.sample.orientation.y, |
---|
694 | {"unit": datainfo.sample.orientation_unit}) |
---|
695 | written = written | write_node(doc, ori, "yaw", |
---|
696 | datainfo.sample.orientation.z, |
---|
697 | {"unit": datainfo.sample.orientation_unit}) |
---|
698 | if written == True: |
---|
699 | sample.appendChild(ori) |
---|
700 | |
---|
701 | # Instrument info |
---|
702 | instr = doc.createElement("SASinstrument") |
---|
703 | entry_node.appendChild(instr) |
---|
704 | |
---|
705 | write_node(doc, instr, "name", datainfo.instrument) |
---|
706 | |
---|
707 | # Source |
---|
708 | source = doc.createElement("SASsource") |
---|
709 | if datainfo.source.name is not None: |
---|
710 | source.setAttribute("name", str(datainfo.source.name)) |
---|
711 | instr.appendChild(source) |
---|
712 | |
---|
713 | write_node(doc, source, "radiation", datainfo.source.radiation) |
---|
714 | write_node(doc, source, "beam_shape", datainfo.source.beam_shape) |
---|
715 | size = doc.createElement("beam_size") |
---|
716 | if datainfo.source.beam_size_name is not None: |
---|
717 | size.setAttribute("name", str(datainfo.source.beam_size_name)) |
---|
718 | written = write_node(doc, size, "x", datainfo.source.beam_size.x, |
---|
719 | {"unit": datainfo.source.beam_size_unit}) |
---|
720 | written = written | write_node(doc, size, "y", |
---|
721 | datainfo.source.beam_size.y, |
---|
722 | {"unit": datainfo.source.beam_size_unit}) |
---|
723 | written = written | write_node(doc, size, "z", |
---|
724 | datainfo.source.beam_size.z, |
---|
725 | {"unit": datainfo.source.beam_size_unit}) |
---|
726 | if written == True: |
---|
727 | source.appendChild(size) |
---|
728 | |
---|
729 | write_node(doc, source, "wavelength", |
---|
730 | datainfo.source.wavelength, |
---|
731 | {"unit": datainfo.source.wavelength_unit}) |
---|
732 | write_node(doc, source, "wavelength_min", |
---|
733 | datainfo.source.wavelength_min, |
---|
734 | {"unit": datainfo.source.wavelength_min_unit}) |
---|
735 | write_node(doc, source, "wavelength_max", |
---|
736 | datainfo.source.wavelength_max, |
---|
737 | {"unit": datainfo.source.wavelength_max_unit}) |
---|
738 | write_node(doc, source, "wavelength_spread", |
---|
739 | datainfo.source.wavelength_spread, |
---|
740 | {"unit": datainfo.source.wavelength_spread_unit}) |
---|
741 | |
---|
742 | # Collimation |
---|
743 | for item in datainfo.collimation: |
---|
744 | coll = doc.createElement("SAScollimation") |
---|
745 | if item.name is not None: |
---|
746 | coll.setAttribute("name", str(item.name)) |
---|
747 | instr.appendChild(coll) |
---|
748 | |
---|
749 | write_node(doc, coll, "length", item.length, |
---|
750 | {"unit": item.length_unit}) |
---|
751 | |
---|
752 | for apert in item.aperture: |
---|
753 | ap = doc.createElement("aperture") |
---|
754 | if apert.name is not None: |
---|
755 | ap.setAttribute("name", str(apert.name)) |
---|
756 | if apert.type is not None: |
---|
757 | ap.setAttribute("type", str(apert.type)) |
---|
758 | coll.appendChild(ap) |
---|
759 | |
---|
760 | write_node(doc, ap, "distance", apert.distance, |
---|
761 | {"unit": apert.distance_unit}) |
---|
762 | |
---|
763 | size = doc.createElement("size") |
---|
764 | if apert.size_name is not None: |
---|
765 | size.setAttribute("name", str(apert.size_name)) |
---|
766 | written = write_node(doc, size, "x", apert.size.x, |
---|
767 | {"unit": apert.size_unit}) |
---|
768 | written = written | write_node(doc, size, "y", apert.size.y, |
---|
769 | {"unit": apert.size_unit}) |
---|
770 | written = written | write_node(doc, size, "z", apert.size.z, |
---|
771 | {"unit": apert.size_unit}) |
---|
772 | if written == True: |
---|
773 | ap.appendChild(size) |
---|
774 | |
---|
775 | # Detectors |
---|
776 | for item in datainfo.detector: |
---|
777 | det = doc.createElement("SASdetector") |
---|
778 | written = write_node(doc, det, "name", item.name) |
---|
779 | written = written | write_node(doc, det, "SDD", item.distance, |
---|
780 | {"unit": item.distance_unit}) |
---|
781 | written = written | write_node(doc, det, "slit_length", |
---|
782 | item.slit_length, |
---|
783 | {"unit": item.slit_length_unit}) |
---|
784 | if written == True: |
---|
785 | instr.appendChild(det) |
---|
786 | |
---|
787 | off = doc.createElement("offset") |
---|
788 | written = write_node(doc, off, "x", item.offset.x, |
---|
789 | {"unit": item.offset_unit}) |
---|
790 | written = written | write_node(doc, off, "y", item.offset.y, |
---|
791 | {"unit": item.offset_unit}) |
---|
792 | written = written | write_node(doc, off, "z", item.offset.z, |
---|
793 | {"unit": item.offset_unit}) |
---|
794 | if written == True: |
---|
795 | det.appendChild(off) |
---|
796 | |
---|
797 | center = doc.createElement("beam_center") |
---|
798 | written = write_node(doc, center, "x", item.beam_center.x, |
---|
799 | {"unit": item.beam_center_unit}) |
---|
800 | written = written | write_node(doc, center, "y", |
---|
801 | item.beam_center.y, |
---|
802 | {"unit": item.beam_center_unit}) |
---|
803 | written = written | write_node(doc, center, "z", |
---|
804 | item.beam_center.z, |
---|
805 | {"unit": item.beam_center_unit}) |
---|
806 | if written == True: |
---|
807 | det.appendChild(center) |
---|
808 | |
---|
809 | pix = doc.createElement("pixel_size") |
---|
810 | written = write_node(doc, pix, "x", item.pixel_size.x, |
---|
811 | {"unit": item.pixel_size_unit}) |
---|
812 | written = written | write_node(doc, pix, "y", item.pixel_size.y, |
---|
813 | {"unit": item.pixel_size_unit}) |
---|
814 | written = written | write_node(doc, pix, "z", item.pixel_size.z, |
---|
815 | {"unit": item.pixel_size_unit}) |
---|
816 | if written == True: |
---|
817 | det.appendChild(pix) |
---|
818 | |
---|
819 | ori = doc.createElement("orientation") |
---|
820 | written = write_node(doc, ori, "roll", item.orientation.x, |
---|
821 | {"unit": item.orientation_unit}) |
---|
822 | written = written | write_node(doc, ori, "pitch", |
---|
823 | item.orientation.y, |
---|
824 | {"unit": item.orientation_unit}) |
---|
825 | written = written | write_node(doc, ori, "yaw", |
---|
826 | item.orientation.z, |
---|
827 | {"unit": item.orientation_unit}) |
---|
828 | if written == True: |
---|
829 | det.appendChild(ori) |
---|
830 | |
---|
831 | # Processes info |
---|
832 | for item in datainfo.process: |
---|
833 | node = doc.createElement("SASprocess") |
---|
834 | entry_node.appendChild(node) |
---|
835 | |
---|
836 | write_node(doc, node, "name", item.name) |
---|
837 | write_node(doc, node, "date", item.date) |
---|
838 | write_node(doc, node, "description", item.description) |
---|
839 | for term in item.term: |
---|
840 | value = term['value'] |
---|
841 | del term['value'] |
---|
842 | write_node(doc, node, "term", value, term) |
---|
843 | for note in item.notes: |
---|
844 | write_node(doc, node, "SASprocessnote", note) |
---|
845 | |
---|
846 | # Return the document, and the SASentry node associated with |
---|
847 | # the data we just wrote |
---|
848 | return doc, entry_node |
---|
849 | |
---|
850 | def write(self, filename, datainfo): |
---|
851 | """ |
---|
852 | Write the content of a Data1D as a CanSAS XML file |
---|
853 | |
---|
854 | :param filename: name of the file to write |
---|
855 | :param datainfo: Data1D object |
---|
856 | """ |
---|
857 | # Create XML document |
---|
858 | doc, _ = self._to_xml_doc(datainfo) |
---|
859 | # Write the file |
---|
860 | fd = open(filename, 'w') |
---|
861 | fd.write(doc.toprettyxml()) |
---|
862 | fd.close() |
---|
863 | |
---|
864 | def _store_float(self, location, node, variable, storage, optional=True): |
---|
865 | """ |
---|
866 | Get the content of a xpath location and store |
---|
867 | the result. Check that the units are compatible |
---|
868 | with the destination. The value is expected to |
---|
869 | be a float. |
---|
870 | |
---|
871 | The xpath location might or might not exist. |
---|
872 | If it does not exist, nothing is done |
---|
873 | |
---|
874 | :param location: xpath location to fetch |
---|
875 | :param node: node to read the data from |
---|
876 | :param variable: name of the data member to store it in [string] |
---|
877 | :param storage: data object that has the 'variable' data member |
---|
878 | :param optional: if True, no exception will be raised |
---|
879 | if unit conversion can't be done |
---|
880 | |
---|
881 | :raise ValueError: raised when the units are not recognized |
---|
882 | """ |
---|
883 | entry = get_content(location, node) |
---|
884 | try: |
---|
885 | value = float(entry.text) |
---|
886 | except: |
---|
887 | value = None |
---|
888 | |
---|
889 | if value is not None: |
---|
890 | # If the entry has units, check to see that they are |
---|
891 | # compatible with what we currently have in the data object |
---|
892 | units = entry.get('unit') |
---|
893 | if units is not None: |
---|
894 | toks = variable.split('.') |
---|
895 | exec "local_unit = storage.%s_unit" % toks[0] |
---|
896 | if units.lower() != local_unit.lower(): |
---|
897 | if HAS_CONVERTER == True: |
---|
898 | try: |
---|
899 | conv = Converter(units) |
---|
900 | exec "storage.%s = %g" % (variable, |
---|
901 | conv(value, units=local_unit)) |
---|
902 | except: |
---|
903 | err_mess = "CanSAS reader: could not convert" |
---|
904 | err_mess += " %s unit [%s]; expecting [%s]\n %s" \ |
---|
905 | % (variable, units, local_unit, sys.exc_value) |
---|
906 | self.errors.append(err_mess) |
---|
907 | if optional: |
---|
908 | logging.info(err_mess) |
---|
909 | else: |
---|
910 | raise ValueError, err_mess |
---|
911 | else: |
---|
912 | err_mess = "CanSAS reader: unrecognized %s unit [%s];"\ |
---|
913 | % (variable, units) |
---|
914 | err_mess += " expecting [%s]" % local_unit |
---|
915 | self.errors.append(err_mess) |
---|
916 | if optional: |
---|
917 | logging.info(err_mess) |
---|
918 | else: |
---|
919 | raise ValueError, err_mess |
---|
920 | else: |
---|
921 | exec "storage.%s = value" % variable |
---|
922 | else: |
---|
923 | exec "storage.%s = value" % variable |
---|
924 | |
---|
925 | def _store_content(self, location, node, variable, storage): |
---|
926 | """ |
---|
927 | Get the content of a xpath location and store |
---|
928 | the result. The value is treated as a string. |
---|
929 | |
---|
930 | The xpath location might or might not exist. |
---|
931 | If it does not exist, nothing is done |
---|
932 | |
---|
933 | :param location: xpath location to fetch |
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934 | :param node: node to read the data from |
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935 | :param variable: name of the data member to store it in [string] |
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936 | :param storage: data object that has the 'variable' data member |
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937 | |
---|
938 | :return: return a list of errors |
---|
939 | """ |
---|
940 | entry = get_content(location, node) |
---|
941 | if entry is not None and entry.text is not None: |
---|
942 | exec "storage.%s = entry.text.strip()" % variable |
---|