source: sasview/src/sas/sascalc/dataloader/readers/cansas_reader_HDF5.py @ 9c0f3c17

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change on this file since 9c0f3c17 was c94280c, checked in by krzywon, 8 years ago

Further down PEP 8.

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[68aa210]1"""
2    CanSAS 2D data reader for reading HDF5 formatted CanSAS files.
3"""
4
5import h5py
6import numpy as np
7import re
8import os
9import sys
10
[082239e]11from sas.sascalc.dataloader.data_info import plottable_1D, plottable_2D,\
12    Data1D, Data2D, DataInfo, Process, Aperture, Collimation, \
13    TransmissionSpectrum, Detector
[d72567e]14from sas.sascalc.dataloader.data_info import combine_data_info_with_plottable
15
[68aa210]16
17class Reader():
18    """
[082239e]19    A class for reading in CanSAS v2.0 data files. The existing iteration opens
20    Mantid generated HDF5 formatted files with file extension .h5/.H5. Any
21    number of data sets may be present within the file and any dimensionality
22    of data may be used. Currently 1D and 2D SAS data sets are supported, but
23    future implementations will include 1D and 2D SESANS data.
[d72567e]24
[082239e]25    Any number of SASdata sets may be present in a SASentry and the data within
26    can be either 1D I(Q) or 2D I(Qx, Qy).
[68aa210]27
[5e906207]28    Also supports reading NXcanSAS formatted HDF5 files
29
[68aa210]30    :Dependencies:
[d72567e]31        The CanSAS HDF5 reader requires h5py => v2.5.0 or later.
[68aa210]32    """
33
[082239e]34    # CanSAS version
[68aa210]35    cansas_version = 2.0
[082239e]36    # Logged warnings or messages
[68aa210]37    logging = None
[082239e]38    # List of errors for the current data set
[68aa210]39    errors = None
[082239e]40    # Raw file contents to be processed
[68aa210]41    raw_data = None
[082239e]42    # Data info currently being read in
[d72567e]43    current_datainfo = None
[082239e]44    # SASdata set currently being read in
[68aa210]45    current_dataset = None
[082239e]46    # List of plottable1D objects that should be linked to the current_datainfo
[d72567e]47    data1d = None
[082239e]48    # List of plottable2D objects that should be linked to the current_datainfo
[d72567e]49    data2d = None
[082239e]50    # Data type name
[ad52d31]51    type_name = "CanSAS 2.0"
[082239e]52    # Wildcards
[ad52d31]53    type = ["CanSAS 2.0 HDF5 Files (*.h5)|*.h5"]
[082239e]54    # List of allowed extensions
[68aa210]55    ext = ['.h5', '.H5']
[082239e]56    # Flag to bypass extension check
[54544637]57    allow_all = True
[082239e]58    # List of files to return
[68aa210]59    output = None
60
61    def read(self, filename):
62        """
[ad52d31]63        This is the general read method that all SasView data_loaders must have.
[68aa210]64
65        :param filename: A path for an HDF5 formatted CanSAS 2D data file.
[d72567e]66        :return: List of Data1D/2D objects and/or a list of errors.
[68aa210]67        """
[082239e]68        # Reinitialize when loading a new data file to reset all class variables
[d72567e]69        self.reset_class_variables()
[082239e]70        # Check that the file exists
[68aa210]71        if os.path.isfile(filename):
72            basename = os.path.basename(filename)
73            _, extension = os.path.splitext(basename)
74            # If the file type is not allowed, return empty list
75            if extension in self.ext or self.allow_all:
[082239e]76                # Load the data file
[68aa210]77                self.raw_data = h5py.File(filename, 'r')
[082239e]78                # Read in all child elements of top level SASroot
[d72567e]79                self.read_children(self.raw_data, [])
[082239e]80                # Add the last data set to the list of outputs
[68aa210]81                self.add_data_set()
[082239e]82                # Close the data file
[995f4eb]83                self.raw_data.close()
[082239e]84        # Return data set(s)
[68aa210]85        return self.output
86
[d72567e]87    def reset_class_variables(self):
88        """
89        Create the reader object and define initial states for class variables
90        """
91        self.current_datainfo = None
92        self.current_dataset = None
93        self.data1d = []
94        self.data2d = []
95        self.raw_data = None
96        self.errors = set()
97        self.logging = []
98        self.output = []
99        self.parent_class = u''
100        self.detector = Detector()
101        self.collimation = Collimation()
102        self.aperture = Aperture()
103        self.process = Process()
104        self.trans_spectrum = TransmissionSpectrum()
105
106    def read_children(self, data, parent_list):
[68aa210]107        """
[ad52d31]108        A recursive method for stepping through the hierarchical data file.
[68aa210]109
110        :param data: h5py Group object of any kind
111        :param parent: h5py Group parent name
112        """
113
[082239e]114        # Loop through each element of the parent and process accordingly
[68aa210]115        for key in data.keys():
[082239e]116            # Get all information for the current key
[68aa210]117            value = data.get(key)
[d398285]118            if value.attrs.get(u'canSAS_class') is not None:
119                class_name = value.attrs.get(u'canSAS_class')
120            else:
121                class_name = value.attrs.get(u'NX_class')
[68aa210]122            if class_name is not None:
123                class_prog = re.compile(class_name)
124            else:
125                class_prog = re.compile(value.name)
126
127            if isinstance(value, h5py.Group):
[d72567e]128                self.parent_class = class_name
129                parent_list.append(key)
[082239e]130                # If a new sasentry, store the current data sets and create
131                # a fresh Data1D/2D object
[68aa210]132                if class_prog.match(u'SASentry'):
133                    self.add_data_set(key)
[d72567e]134                elif class_prog.match(u'SASdata'):
135                    self._initialize_new_data_set(parent_list)
[082239e]136                # Recursion step to access data within the group
[d72567e]137                self.read_children(value, parent_list)
138                self.add_intermediate()
139                parent_list.remove(key)
[68aa210]140
141            elif isinstance(value, h5py.Dataset):
[082239e]142                # If this is a dataset, store the data appropriately
[68aa210]143                data_set = data[key][:]
[7bd6860a]144                unit = self._get_unit(value)
[ac370c5]145
[082239e]146                # I and Q Data
[7bd6860a]147                if key == u'I':
[082239e]148                    if isinstance(self.current_dataset, plottable_2D):
[ac370c5]149                        self.current_dataset.data = data_set
[7bd6860a]150                        self.current_dataset.zaxis("Intensity", unit)
151                    else:
152                        self.current_dataset.y = data_set.flatten()
153                        self.current_dataset.yaxis("Intensity", unit)
154                    continue
155                elif key == u'Idev':
[082239e]156                    if isinstance(self.current_dataset, plottable_2D):
[7bd6860a]157                        self.current_dataset.err_data = data_set.flatten()
158                    else:
159                        self.current_dataset.dy = data_set.flatten()
160                    continue
161                elif key == u'Q':
162                    self.current_dataset.xaxis("Q", unit)
[082239e]163                    if isinstance(self.current_dataset, plottable_2D):
[7bd6860a]164                        self.current_dataset.q = data_set.flatten()
165                    else:
166                        self.current_dataset.x = data_set.flatten()
167                    continue
[bbd0f37]168                elif key == u'Qdev':
169                    self.current_dataset.dx = data_set.flatten()
170                    continue
[082239e]171                elif key == u'dQw':
172                    self.current_dataset.dxw = data_set.flatten()
173                    continue
174                elif key == u'dQl':
175                    self.current_dataset.dxl = data_set.flatten()
176                    continue
[7bd6860a]177                elif key == u'Qy':
178                    self.current_dataset.yaxis("Q_y", unit)
179                    self.current_dataset.qy_data = data_set.flatten()
180                    continue
181                elif key == u'Qydev':
182                    self.current_dataset.dqy_data = data_set.flatten()
183                    continue
184                elif key == u'Qx':
185                    self.current_dataset.xaxis("Q_x", unit)
186                    self.current_dataset.qx_data = data_set.flatten()
187                    continue
188                elif key == u'Qxdev':
189                    self.current_dataset.dqx_data = data_set.flatten()
190                    continue
191                elif key == u'Mask':
192                    self.current_dataset.mask = data_set.flatten()
193                    continue
[082239e]194                # Transmission Spectrum
[c94280c]195                elif (key == u'T'
196                      and self.parent_class == u'SAStransmission_spectrum'):
[082239e]197                    self.trans_spectrum.transmission = data_set.flatten()
198                    continue
[c94280c]199                elif (key == u'Tdev'
200                      and self.parent_class == u'SAStransmission_spectrum'):
[082239e]201                    self.trans_spectrum.transmission_deviation = \
202                        data_set.flatten()
203                    continue
[c94280c]204                elif (key == u'lambda'
205                      and self.parent_class == u'SAStransmission_spectrum'):
[082239e]206                    self.trans_spectrum.wavelength = data_set.flatten()
207                    continue
[68aa210]208
209                for data_point in data_set:
[082239e]210                    # Top Level Meta Data
[68aa210]211                    if key == u'definition':
[d72567e]212                        self.current_datainfo.meta_data['reader'] = data_point
[68aa210]213                    elif key == u'run':
[d72567e]214                        self.current_datainfo.run.append(data_point)
[be88076]215                        try:
216                            run_name = value.attrs['name']
217                            run_dict = {data_point: run_name}
218                            self.current_datainfo.run_name = run_dict
219                        except:
220                            pass
[68aa210]221                    elif key == u'title':
[d72567e]222                        self.current_datainfo.title = data_point
[68aa210]223                    elif key == u'SASnote':
[d72567e]224                        self.current_datainfo.notes.append(data_point)
[68aa210]225
[082239e]226                    # Sample Information
227                    # CanSAS 2.0 format
228                    elif key == u'Title' and self.parent_class == u'SASsample':
[d72567e]229                        self.current_datainfo.sample.name = data_point
[082239e]230                    # NXcanSAS format
231                    elif key == u'name' and self.parent_class == u'SASsample':
[88d85c6]232                        self.current_datainfo.sample.name = data_point
[082239e]233                    # NXcanSAS format
234                    elif key == u'ID' and self.parent_class == u'SASsample':
235                        self.current_datainfo.sample.name = data_point
[c94280c]236                    elif (key == u'thickness'
237                          and self.parent_class == u'SASsample'):
[d72567e]238                        self.current_datainfo.sample.thickness = data_point
[c94280c]239                    elif (key == u'temperature'
240                          and self.parent_class == u'SASsample'):
[d72567e]241                        self.current_datainfo.sample.temperature = data_point
[c94280c]242                    elif (key == u'transmission'
243                          and self.parent_class == u'SASsample'):
[5e906207]244                        self.current_datainfo.sample.transmission = data_point
[c94280c]245                    elif (key == u'x_position'
246                          and self.parent_class == u'SASsample'):
[5e906207]247                        self.current_datainfo.sample.position.x = data_point
[c94280c]248                    elif (key == u'y_position'
249                          and self.parent_class == u'SASsample'):
[5e906207]250                        self.current_datainfo.sample.position.y = data_point
[082239e]251                    elif key == u'pitch' and self.parent_class == u'SASsample':
[5e906207]252                        self.current_datainfo.sample.orientation.x = data_point
[082239e]253                    elif key == u'yaw' and self.parent_class == u'SASsample':
254                        self.current_datainfo.sample.orientation.y = data_point
255                    elif key == u'roll' and self.parent_class == u'SASsample':
[5e906207]256                        self.current_datainfo.sample.orientation.z = data_point
[c94280c]257                    elif (key == u'details'
258                          and self.parent_class == u'SASsample'):
[5e906207]259                        self.current_datainfo.sample.details.append(data_point)
[68aa210]260
[082239e]261                    # Instrumental Information
[c94280c]262                    elif (key == u'name'
263                          and self.parent_class == u'SASinstrument'):
[d72567e]264                        self.current_datainfo.instrument = data_point
265                    elif key == u'name' and self.parent_class == u'SASdetector':
[ad52d31]266                        self.detector.name = data_point
[d72567e]267                    elif key == u'SDD' and self.parent_class == u'SASdetector':
268                        self.detector.distance = float(data_point)
[d398285]269                        self.detector.distance_unit = unit
[c94280c]270                    elif (key == u'slit_length'
271                          and self.parent_class == u'SASdetector'):
[5e906207]272                        self.detector.slit_length = float(data_point)
273                        self.detector.slit_length_unit = unit
[c94280c]274                    elif (key == u'x_position'
275                          and self.parent_class == u'SASdetector'):
[5e906207]276                        self.detector.offset.x = float(data_point)
277                        self.detector.offset_unit = unit
[c94280c]278                    elif (key == u'y_position'
279                          and self.parent_class == u'SASdetector'):
[5e906207]280                        self.detector.offset.y = float(data_point)
281                        self.detector.offset_unit = unit
[c94280c]282                    elif (key == u'pitch'
283                          and self.parent_class == u'SASdetector'):
[5e906207]284                        self.detector.orientation.x = float(data_point)
285                        self.detector.orientation_unit = unit
[082239e]286                    elif key == u'roll' and self.parent_class == u'SASdetector':
[5e906207]287                        self.detector.orientation.z = float(data_point)
288                        self.detector.orientation_unit = unit
[082239e]289                    elif key == u'yaw' and self.parent_class == u'SASdetector':
290                        self.detector.orientation.y = float(data_point)
291                        self.detector.orientation_unit = unit
[c94280c]292                    elif (key == u'beam_center_x'
293                          and self.parent_class == u'SASdetector'):
[5e906207]294                        self.detector.beam_center.x = float(data_point)
295                        self.detector.beam_center_unit = unit
[c94280c]296                    elif (key == u'beam_center_y'
297                          and self.parent_class == u'SASdetector'):
[5e906207]298                        self.detector.beam_center.y = float(data_point)
299                        self.detector.beam_center_unit = unit
[c94280c]300                    elif (key == u'x_pixel_size'
301                          and self.parent_class == u'SASdetector'):
[5e906207]302                        self.detector.pixel_size.x = float(data_point)
303                        self.detector.pixel_size_unit = unit
[c94280c]304                    elif (key == u'y_pixel_size'
305                          and self.parent_class == u'SASdetector'):
[5e906207]306                        self.detector.pixel_size.y = float(data_point)
307                        self.detector.pixel_size_unit = unit
[c94280c]308                    elif (key == u'distance'
309                          and self.parent_class == u'SAScollimation'):
[ad52d31]310                        self.collimation.length = data_point
[d398285]311                        self.collimation.length_unit = unit
[c94280c]312                    elif (key == u'name'
313                          and self.parent_class == u'SAScollimation'):
[ad52d31]314                        self.collimation.name = data_point
[c94280c]315                    elif (key == u'shape'
316                          and self.parent_class == u'SASaperture'):
[082239e]317                        self.aperture.shape = data_point
[c94280c]318                    elif (key == u'x_gap'
319                          and self.parent_class == u'SASaperture'):
[082239e]320                        self.aperture.size.x = data_point
[c94280c]321                    elif (key == u'y_gap'
322                          and self.parent_class == u'SASaperture'):
[082239e]323                        self.aperture.size.y = data_point
324
325                    # Process Information
[c94280c]326                    elif (key == u'Title'
327                          and self.parent_class == u'SASprocess'): # CanSAS 2.0
[68aa210]328                        self.process.name = data_point
[c94280c]329                    elif (key == u'name'
330                          and self.parent_class == u'SASprocess'): # NXcanSAS
[68aa210]331                        self.process.name = data_point
[c94280c]332                    elif (key == u'description'
333                          and self.parent_class == u'SASprocess'):
[68aa210]334                        self.process.description = data_point
[d72567e]335                    elif key == u'date' and self.parent_class == u'SASprocess':
[68aa210]336                        self.process.date = data_point
[082239e]337                    elif key == u'term' and self.parent_class == u'SASprocess':
338                        self.process.term = data_point
[d72567e]339                    elif self.parent_class == u'SASprocess':
[ad52d31]340                        self.process.notes.append(data_point)
341
[082239e]342                    # Source
[c94280c]343                    elif (key == u'wavelength'
344                          and self.parent_class == u'SASdata'):
[d72567e]345                        self.current_datainfo.source.wavelength = data_point
[5e906207]346                        self.current_datainfo.source.wavelength_unit = unit
[c94280c]347                    elif (key == u'incident_wavelength'
348                          and self.parent_class == 'SASsource'):
[5e906207]349                        self.current_datainfo.source.wavelength = data_point
350                        self.current_datainfo.source.wavelength_unit = unit
[c94280c]351                    elif (key == u'wavelength_max'
352                          and self.parent_class == u'SASsource'):
[5e906207]353                        self.current_datainfo.source.wavelength_max = data_point
354                        self.current_datainfo.source.wavelength_max_unit = unit
[c94280c]355                    elif (key == u'wavelength_min'
356                          and self.parent_class == u'SASsource'):
[5e906207]357                        self.current_datainfo.source.wavelength_min = data_point
358                        self.current_datainfo.source.wavelength_min_unit = unit
[c94280c]359                    elif (key == u'incident_wavelength_spread'
360                          and self.parent_class == u'SASsource'):
[082239e]361                        self.current_datainfo.source.wavelength_spread = \
362                            data_point
363                        self.current_datainfo.source.wavelength_spread_unit = \
364                            unit
[c94280c]365                    elif (key == u'beam_size_x'
366                          and self.parent_class == u'SASsource'):
[5e906207]367                        self.current_datainfo.source.beam_size.x = data_point
368                        self.current_datainfo.source.beam_size_unit = unit
[c94280c]369                    elif (key == u'beam_size_y'
370                          and self.parent_class == u'SASsource'):
[5e906207]371                        self.current_datainfo.source.beam_size.y = data_point
372                        self.current_datainfo.source.beam_size_unit = unit
[c94280c]373                    elif (key == u'beam_shape'
374                          and self.parent_class == u'SASsource'):
[5e906207]375                        self.current_datainfo.source.beam_shape = data_point
[c94280c]376                    elif (key == u'radiation'
377                          and self.parent_class == u'SASsource'):
[d72567e]378                        self.current_datainfo.source.radiation = data_point
[c94280c]379                    elif (key == u'transmission'
380                          and self.parent_class == u'SASdata'):
[d72567e]381                        self.current_datainfo.sample.transmission = data_point
[68aa210]382
[082239e]383                    # Everything else goes in meta_data
[68aa210]384                    else:
[082239e]385                        new_key = self._create_unique_key(
386                            self.current_datainfo.meta_data, key)
[d72567e]387                        self.current_datainfo.meta_data[new_key] = data_point
[68aa210]388
389            else:
[082239e]390                # I don't know if this reachable code
[68aa210]391                self.errors.add("ShouldNeverHappenException")
392
[d72567e]393    def add_intermediate(self):
[ad52d31]394        """
[082239e]395        This method stores any intermediate objects within the final data set
396        after fully reading the set.
[ad52d31]397
[082239e]398        :param parent: The NXclass name for the h5py Group object that just
399                       finished being processed
[ad52d31]400        """
401
[d72567e]402        if self.parent_class == u'SASprocess':
403            self.current_datainfo.process.append(self.process)
[ad52d31]404            self.process = Process()
[d72567e]405        elif self.parent_class == u'SASdetector':
406            self.current_datainfo.detector.append(self.detector)
[ad52d31]407            self.detector = Detector()
[d72567e]408        elif self.parent_class == u'SAStransmission_spectrum':
409            self.current_datainfo.trans_spectrum.append(self.trans_spectrum)
[ad52d31]410            self.trans_spectrum = TransmissionSpectrum()
[d72567e]411        elif self.parent_class == u'SAScollimation':
412            self.current_datainfo.collimation.append(self.collimation)
[ad52d31]413            self.collimation = Collimation()
[d72567e]414        elif self.parent_class == u'SASaperture':
[ad52d31]415            self.collimation.aperture.append(self.aperture)
416            self.aperture = Aperture()
[d72567e]417        elif self.parent_class == u'SASdata':
[082239e]418            if isinstance(self.current_dataset, plottable_2D):
[d72567e]419                self.data2d.append(self.current_dataset)
[082239e]420            elif isinstance(self.current_dataset, plottable_1D):
[d72567e]421                self.data1d.append(self.current_dataset)
[68aa210]422
423    def final_data_cleanup(self):
424        """
[082239e]425        Does some final cleanup and formatting on self.current_datainfo and
426        all data1D and data2D objects and then combines the data and info into
427        Data1D and Data2D objects
[68aa210]428        """
429
[082239e]430        # Type cast data arrays to float64
[d72567e]431        if len(self.current_datainfo.trans_spectrum) > 0:
[ad52d31]432            spectrum_list = []
[d72567e]433            for spectrum in self.current_datainfo.trans_spectrum:
[ad52d31]434                spectrum.transmission = np.delete(spectrum.transmission, [0])
435                spectrum.transmission = spectrum.transmission.astype(np.float64)
[082239e]436                spectrum.transmission_deviation = np.delete(
437                    spectrum.transmission_deviation, [0])
438                spectrum.transmission_deviation = \
439                    spectrum.transmission_deviation.astype(np.float64)
[ad52d31]440                spectrum.wavelength = np.delete(spectrum.wavelength, [0])
441                spectrum.wavelength = spectrum.wavelength.astype(np.float64)
[d72567e]442                if len(spectrum.transmission) > 0:
443                    spectrum_list.append(spectrum)
444            self.current_datainfo.trans_spectrum = spectrum_list
[68aa210]445
[082239e]446        # Append errors to dataset and reset class errors
[d72567e]447        self.current_datainfo.errors = self.errors
[68aa210]448        self.errors.clear()
449
[082239e]450        # Combine all plottables with datainfo and append each to output
451        # Type cast data arrays to float64 and find min/max as appropriate
[d72567e]452        for dataset in self.data2d:
453            dataset.data = dataset.data.astype(np.float64)
454            dataset.err_data = dataset.err_data.astype(np.float64)
455            if dataset.qx_data is not None:
456                dataset.xmin = np.min(dataset.qx_data)
457                dataset.xmax = np.max(dataset.qx_data)
458                dataset.qx_data = dataset.qx_data.astype(np.float64)
459            if dataset.dqx_data is not None:
460                dataset.dqx_data = dataset.dqx_data.astype(np.float64)
461            if dataset.qy_data is not None:
462                dataset.ymin = np.min(dataset.qy_data)
463                dataset.ymax = np.max(dataset.qy_data)
464                dataset.qy_data = dataset.qy_data.astype(np.float64)
465            if dataset.dqy_data is not None:
466                dataset.dqy_data = dataset.dqy_data.astype(np.float64)
467            if dataset.q_data is not None:
468                dataset.q_data = dataset.q_data.astype(np.float64)
469            zeros = np.ones(dataset.data.size, dtype=bool)
470            try:
[082239e]471                for i in range(0, dataset.mask.size - 1):
[d72567e]472                    zeros[i] = dataset.mask[i]
473            except:
474                self.errors.add(sys.exc_value)
475            dataset.mask = zeros
[082239e]476            # Calculate the actual Q matrix
[d72567e]477            try:
478                if dataset.q_data.size <= 1:
[54544637]479                    dataset.q_data = np.sqrt(dataset.qx_data
480                                             * dataset.qx_data
481                                             + dataset.qy_data
482                                             * dataset.qy_data)
[d72567e]483            except:
484                dataset.q_data = None
[ac370c5]485
486            if dataset.data.ndim == 2:
487                (n_rows, n_cols) = dataset.data.shape
[479799c]488                dataset.y_bins = dataset.qy_data[0::n_cols]
[ac370c5]489                dataset.x_bins = dataset.qx_data[:n_cols]
490                dataset.data = dataset.data.flatten()
491
[082239e]492            final_dataset = combine_data_info_with_plottable(
493                dataset, self.current_datainfo)
[d72567e]494            self.output.append(final_dataset)
495
496        for dataset in self.data1d:
497            if dataset.x is not None:
498                dataset.x = dataset.x.astype(np.float64)
499                dataset.xmin = np.min(dataset.x)
500                dataset.xmax = np.max(dataset.x)
501            if dataset.y is not None:
502                dataset.y = dataset.y.astype(np.float64)
503                dataset.ymin = np.min(dataset.y)
504                dataset.ymax = np.max(dataset.y)
505            if dataset.dx is not None:
506                dataset.dx = dataset.dx.astype(np.float64)
507            if dataset.dxl is not None:
508                dataset.dxl = dataset.dxl.astype(np.float64)
509            if dataset.dxw is not None:
510                dataset.dxw = dataset.dxw.astype(np.float64)
511            if dataset.dy is not None:
512                dataset.dy = dataset.dy.astype(np.float64)
[082239e]513            final_dataset = combine_data_info_with_plottable(
514                dataset, self.current_datainfo)
[d72567e]515            self.output.append(final_dataset)
516
[68aa210]517    def add_data_set(self, key=""):
518        """
[082239e]519        Adds the current_dataset to the list of outputs after preforming final
520        processing on the data and then calls a private method to generate a
521        new data set.
[68aa210]522
523        :param key: NeXus group name for current tree level
524        """
[d72567e]525
526        if self.current_datainfo and self.current_dataset:
[68aa210]527            self.final_data_cleanup()
[d72567e]528        self.data1d = []
529        self.data2d = []
530        self.current_datainfo = DataInfo()
[68aa210]531
[54ba66e]532
[082239e]533    def _initialize_new_data_set(self, parent_list=None):
[68aa210]534        """
[082239e]535        A private class method to generate a new 1D or 2D data object based on
536        the type of data within the set. Outside methods should call
537        add_data_set() to be sure any existing data is stored properly.
[68aa210]538
[d72567e]539        :param parent_list: List of names of parent elements
[68aa210]540        """
[d72567e]541
542        if parent_list is None:
543            parent_list = []
544        if self._find_intermediate(parent_list, "Qx"):
545            self.current_dataset = plottable_2D()
[68aa210]546        else:
547            x = np.array(0)
548            y = np.array(0)
[d72567e]549            self.current_dataset = plottable_1D(x, y)
550        self.current_datainfo.filename = self.raw_data.filename
[68aa210]551
[d72567e]552    def _find_intermediate(self, parent_list, basename=""):
[ad52d31]553        """
[082239e]554        A private class used to find an entry by either using a direct key or
555        knowing the approximate basename.
[ad52d31]556
[082239e]557        :param parent_list: List of parents nodes in the HDF5 file
[d72567e]558        :param basename: Approximate name of an entry to search for
[ad52d31]559        :return:
560        """
[d72567e]561
562        entry = False
563        key_prog = re.compile(basename)
564        top = self.raw_data
565        for parent in parent_list:
566            top = top.get(parent)
567        for key in top.keys():
[082239e]568            if key_prog.match(key):
[d72567e]569                entry = True
570                break
[ad52d31]571        return entry
572
[68aa210]573    def _create_unique_key(self, dictionary, name, numb=0):
574        """
575        Create a unique key value for any dictionary to prevent overwriting
576        Recurses until a unique key value is found.
577
578        :param dictionary: A dictionary with any number of entries
579        :param name: The index of the item to be added to dictionary
580        :param numb: The number to be appended to the name, starts at 0
[d72567e]581        :return: The new name for the dictionary entry
[68aa210]582        """
583        if dictionary.get(name) is not None:
584            numb += 1
585            name = name.split("_")[0]
586            name += "_{0}".format(numb)
587            name = self._create_unique_key(dictionary, name, numb)
[d398285]588        return name
589
590    def _get_unit(self, value):
591        """
592        Find the unit for a particular value within the h5py dictionary
593
594        :param value: attribute dictionary for a particular value set
[d72567e]595        :return: unit for the value passed to the method
[d398285]596        """
597        unit = value.attrs.get(u'units')
[54544637]598        if unit is None:
[d398285]599            unit = value.attrs.get(u'unit')
[082239e]600        # Convert the unit formats
[d398285]601        if unit == "1/A":
602            unit = "A^{-1}"
603        elif unit == "1/cm":
604            unit = "cm^{-1}"
[54ba66e]605        return unit
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