cansas_reader_HDF5.py @ d13386c

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc

Last change on this file since d13386c was 1b06e13a, checked in by Piotr Rozyczko <rozyczko@…>, 8 years ago
Correctly set y_bins in cansas_reader_HDF5
Property mode set to `100644`
File size: 19.7 KB

Rev	Line
[68aa210]	1	"""
	2	CanSAS 2D data reader for reading HDF5 formatted CanSAS files.
	3	"""
	4
	5	import h5py
	6	import numpy as np
	7	import re
	8	import os
	9	import sys
	10
[132db16]	11	from sas.sascalc.dataloader.data_info import plottable_1D, plottable_2D, Data1D, Data2D, DataInfo, Process, Aperture
	12	from sas.sascalc.dataloader.data_info import Collimation, TransmissionSpectrum, Detector
	13	from sas.sascalc.dataloader.data_info import combine_data_info_with_plottable
	14
[68aa210]	15
	16
	17	class Reader():
	18	"""
[ad52d31]	19	A class for reading in CanSAS v2.0 data files. The existing iteration opens Mantid generated HDF5 formatted files
	20	with file extension .h5/.H5. Any number of data sets may be present within the file and any dimensionality of data
	21	may be used. Currently 1D and 2D SAS data sets are supported, but future implementations will include 1D and 2D
[132db16]	22	SESANS data.
	23
	24	Any number of SASdata sets may be present in a SASentry and the data within can be either 1D I(Q) or 2D I(Qx, Qy).
[68aa210]	25
	26	:Dependencies:
[132db16]	27	The CanSAS HDF5 reader requires h5py => v2.5.0 or later.
[68aa210]	28	"""
	29
	30	## CanSAS version
	31	cansas_version = 2.0
	32	## Logged warnings or messages
	33	logging = None
	34	## List of errors for the current data set
	35	errors = None
	36	## Raw file contents to be processed
	37	raw_data = None
[132db16]	38	## Data info currently being read in
	39	current_datainfo = None
	40	## SASdata set currently being read in
[68aa210]	41	current_dataset = None
[132db16]	42	## List of plottable1D objects that should be linked to the current_datainfo
	43	data1d = None
	44	## List of plottable2D objects that should be linked to the current_datainfo
	45	data2d = None
[68aa210]	46	## Data type name
[ad52d31]	47	type_name = "CanSAS 2.0"
[68aa210]	48	## Wildcards
[ad52d31]	49	type = ["CanSAS 2.0 HDF5 Files (.h5)\|.h5"]
[68aa210]	50	## List of allowed extensions
	51	ext = ['.h5', '.H5']
	52	## Flag to bypass extension check
	53	allow_all = False
	54	## List of files to return
	55	output = None
	56
	57	def read(self, filename):
	58	"""
[ad52d31]	59	This is the general read method that all SasView data_loaders must have.
[68aa210]	60
	61	:param filename: A path for an HDF5 formatted CanSAS 2D data file.
[132db16]	62	:return: List of Data1D/2D objects and/or a list of errors.
[68aa210]	63	"""
[ad52d31]	64	## Reinitialize the class when loading a new data file to reset all class variables
[132db16]	65	self.reset_class_variables()
[68aa210]	66	## Check that the file exists
	67	if os.path.isfile(filename):
	68	basename = os.path.basename(filename)
	69	_, extension = os.path.splitext(basename)
	70	# If the file type is not allowed, return empty list
	71	if extension in self.ext or self.allow_all:
	72	## Load the data file
	73	self.raw_data = h5py.File(filename, 'r')
	74	## Read in all child elements of top level SASroot
[132db16]	75	self.read_children(self.raw_data, [])
[ad52d31]	76	## Add the last data set to the list of outputs
[68aa210]	77	self.add_data_set()
	78	## Return data set(s)
	79	return self.output
	80
[132db16]	81	def reset_class_variables(self):
	82	"""
	83	Create the reader object and define initial states for class variables
	84	"""
	85	self.current_datainfo = None
	86	self.current_dataset = None
	87	self.data1d = []
	88	self.data2d = []
	89	self.raw_data = None
	90	self.errors = set()
	91	self.logging = []
	92	self.output = []
	93	self.parent_class = u''
	94	self.detector = Detector()
	95	self.collimation = Collimation()
	96	self.aperture = Aperture()
	97	self.process = Process()
	98	self.trans_spectrum = TransmissionSpectrum()
	99
	100	def read_children(self, data, parent_list):
[68aa210]	101	"""
[ad52d31]	102	A recursive method for stepping through the hierarchical data file.
[68aa210]	103
	104	:param data: h5py Group object of any kind
	105	:param parent: h5py Group parent name
	106	"""
	107
	108	## Loop through each element of the parent and process accordingly
	109	for key in data.keys():
	110	## Get all information for the current key
	111	value = data.get(key)
[d398285]	112	if value.attrs.get(u'canSAS_class') is not None:
	113	class_name = value.attrs.get(u'canSAS_class')
	114	else:
	115	class_name = value.attrs.get(u'NX_class')
[68aa210]	116	if class_name is not None:
	117	class_prog = re.compile(class_name)
	118	else:
	119	class_prog = re.compile(value.name)
	120
	121	if isinstance(value, h5py.Group):
[132db16]	122	self.parent_class = class_name
	123	parent_list.append(key)
	124	## If this is a new sasentry, store the current data sets and create a fresh Data1D/2D object
[68aa210]	125	if class_prog.match(u'SASentry'):
	126	self.add_data_set(key)
[132db16]	127	elif class_prog.match(u'SASdata'):
	128	self._initialize_new_data_set(parent_list)
[ad52d31]	129	## Recursion step to access data within the group
[132db16]	130	self.read_children(value, parent_list)
	131	self.add_intermediate()
	132	parent_list.remove(key)
[68aa210]	133
	134	elif isinstance(value, h5py.Dataset):
	135	## If this is a dataset, store the data appropriately
	136	data_set = data[key][:]
[b76cf0d]	137	unit = self._get_unit(value)
[a9d3abb]	138
[b76cf0d]	139	## I and Q Data
	140	if key == u'I':
	141	if type(self.current_dataset) is plottable_2D:
[a9d3abb]	142	self.current_dataset.data = data_set
[b76cf0d]	143	self.current_dataset.zaxis("Intensity", unit)
	144	else:
	145	self.current_dataset.y = data_set.flatten()
	146	self.current_dataset.yaxis("Intensity", unit)
	147	continue
	148	elif key == u'Idev':
	149	if type(self.current_dataset) is plottable_2D:
	150	self.current_dataset.err_data = data_set.flatten()
	151	else:
	152	self.current_dataset.dy = data_set.flatten()
	153	continue
	154	elif key == u'Q':
	155	self.current_dataset.xaxis("Q", unit)
	156	if type(self.current_dataset) is plottable_2D:
	157	self.current_dataset.q = data_set.flatten()
	158	else:
	159	self.current_dataset.x = data_set.flatten()
	160	continue
	161	elif key == u'Qy':
	162	self.current_dataset.yaxis("Q_y", unit)
	163	self.current_dataset.qy_data = data_set.flatten()
	164	continue
	165	elif key == u'Qydev':
	166	self.current_dataset.dqy_data = data_set.flatten()
	167	continue
	168	elif key == u'Qx':
	169	self.current_dataset.xaxis("Q_x", unit)
	170	self.current_dataset.qx_data = data_set.flatten()
	171	continue
	172	elif key == u'Qxdev':
	173	self.current_dataset.dqx_data = data_set.flatten()
	174	continue
	175	elif key == u'Mask':
	176	self.current_dataset.mask = data_set.flatten()
	177	continue
[68aa210]	178
	179	for data_point in data_set:
	180	## Top Level Meta Data
	181	if key == u'definition':
[132db16]	182	self.current_datainfo.meta_data['reader'] = data_point
[68aa210]	183	elif key == u'run':
[132db16]	184	self.current_datainfo.run.append(data_point)
[68aa210]	185	elif key == u'title':
[132db16]	186	self.current_datainfo.title = data_point
[68aa210]	187	elif key == u'SASnote':
[132db16]	188	self.current_datainfo.notes.append(data_point)
[68aa210]	189
	190	## Sample Information
[132db16]	191	elif key == u'Title' and self.parent_class == u'SASsample':
	192	self.current_datainfo.sample.name = data_point
	193	elif key == u'thickness' and self.parent_class == u'SASsample':
	194	self.current_datainfo.sample.thickness = data_point
	195	elif key == u'temperature' and self.parent_class == u'SASsample':
	196	self.current_datainfo.sample.temperature = data_point
[68aa210]	197
[ad52d31]	198	## Instrumental Information
[132db16]	199	elif key == u'name' and self.parent_class == u'SASinstrument':
	200	self.current_datainfo.instrument = data_point
	201	elif key == u'name' and self.parent_class == u'SASdetector':
[ad52d31]	202	self.detector.name = data_point
[132db16]	203	elif key == u'SDD' and self.parent_class == u'SASdetector':
	204	self.detector.distance = float(data_point)
[d398285]	205	self.detector.distance_unit = unit
[132db16]	206	elif key == u'SSD' and self.parent_class == u'SAScollimation':
[ad52d31]	207	self.collimation.length = data_point
[d398285]	208	self.collimation.length_unit = unit
[132db16]	209	elif key == u'name' and self.parent_class == u'SAScollimation':
[ad52d31]	210	self.collimation.name = data_point
	211
[68aa210]	212	## Process Information
[132db16]	213	elif key == u'name' and self.parent_class == u'SASprocess':
[68aa210]	214	self.process.name = data_point
[132db16]	215	elif key == u'Title' and self.parent_class == u'SASprocess':
[68aa210]	216	self.process.name = data_point
[132db16]	217	elif key == u'description' and self.parent_class == u'SASprocess':
[68aa210]	218	self.process.description = data_point
[132db16]	219	elif key == u'date' and self.parent_class == u'SASprocess':
[68aa210]	220	self.process.date = data_point
[132db16]	221	elif self.parent_class == u'SASprocess':
[ad52d31]	222	self.process.notes.append(data_point)
	223
	224	## Transmission Spectrum
[132db16]	225	elif key == u'T' and self.parent_class == u'SAStransmission_spectrum':
[ad52d31]	226	self.trans_spectrum.transmission.append(data_point)
[132db16]	227	elif key == u'Tdev' and self.parent_class == u'SAStransmission_spectrum':
[ad52d31]	228	self.trans_spectrum.transmission_deviation.append(data_point)
[132db16]	229	elif key == u'lambda' and self.parent_class == u'SAStransmission_spectrum':
[ad52d31]	230	self.trans_spectrum.wavelength.append(data_point)
	231
	232	## Other Information
[132db16]	233	elif key == u'wavelength' and self.parent_class == u'SASdata':
	234	self.current_datainfo.source.wavelength = data_point
	235	self.current_datainfo.source.wavelength.unit = unit
	236	elif key == u'radiation' and self.parent_class == u'SASsource':
	237	self.current_datainfo.source.radiation = data_point
	238	elif key == u'transmission' and self.parent_class == u'SASdata':
	239	self.current_datainfo.sample.transmission = data_point
[68aa210]	240
	241	## Everything else goes in meta_data
	242	else:
[132db16]	243	new_key = self._create_unique_key(self.current_datainfo.meta_data, key)
	244	self.current_datainfo.meta_data[new_key] = data_point
[68aa210]	245
	246	else:
	247	## I don't know if this reachable code
	248	self.errors.add("ShouldNeverHappenException")
	249
[132db16]	250	def add_intermediate(self):
[ad52d31]	251	"""
	252	This method stores any intermediate objects within the final data set after fully reading the set.
	253
	254	:param parent: The NXclass name for the h5py Group object that just finished being processed
	255	"""
	256
[132db16]	257	if self.parent_class == u'SASprocess':
	258	self.current_datainfo.process.append(self.process)
[ad52d31]	259	self.process = Process()
[132db16]	260	elif self.parent_class == u'SASdetector':
	261	self.current_datainfo.detector.append(self.detector)
[ad52d31]	262	self.detector = Detector()
[132db16]	263	elif self.parent_class == u'SAStransmission_spectrum':
	264	self.current_datainfo.trans_spectrum.append(self.trans_spectrum)
[ad52d31]	265	self.trans_spectrum = TransmissionSpectrum()
[132db16]	266	elif self.parent_class == u'SAScollimation':
	267	self.current_datainfo.collimation.append(self.collimation)
[ad52d31]	268	self.collimation = Collimation()
[132db16]	269	elif self.parent_class == u'SASaperture':
[ad52d31]	270	self.collimation.aperture.append(self.aperture)
	271	self.aperture = Aperture()
[132db16]	272	elif self.parent_class == u'SASdata':
	273	if type(self.current_dataset) is plottable_2D:
	274	self.data2d.append(self.current_dataset)
	275	elif type(self.current_dataset) is plottable_1D:
	276	self.data1d.append(self.current_dataset)
[68aa210]	277
	278	def final_data_cleanup(self):
	279	"""
[132db16]	280	Does some final cleanup and formatting on self.current_datainfo and all data1D and data2D objects and then
	281	combines the data and info into Data1D and Data2D objects
[68aa210]	282	"""
	283
[132db16]	284	## Type cast data arrays to float64
	285	if len(self.current_datainfo.trans_spectrum) > 0:
[ad52d31]	286	spectrum_list = []
[132db16]	287	for spectrum in self.current_datainfo.trans_spectrum:
[ad52d31]	288	spectrum.transmission = np.delete(spectrum.transmission, [0])
	289	spectrum.transmission = spectrum.transmission.astype(np.float64)
	290	spectrum.transmission_deviation = np.delete(spectrum.transmission_deviation, [0])
	291	spectrum.transmission_deviation = spectrum.transmission_deviation.astype(np.float64)
	292	spectrum.wavelength = np.delete(spectrum.wavelength, [0])
	293	spectrum.wavelength = spectrum.wavelength.astype(np.float64)
[132db16]	294	if len(spectrum.transmission) > 0:
	295	spectrum_list.append(spectrum)
	296	self.current_datainfo.trans_spectrum = spectrum_list
[68aa210]	297
	298	## Append errors to dataset and reset class errors
[132db16]	299	self.current_datainfo.errors = self.errors
[68aa210]	300	self.errors.clear()
	301
[132db16]	302	## Combine all plottables with datainfo and append each to output
	303	## Type cast data arrays to float64 and find min/max as appropriate
	304	for dataset in self.data2d:
	305	dataset.data = dataset.data.astype(np.float64)
	306	dataset.err_data = dataset.err_data.astype(np.float64)
	307	if dataset.qx_data is not None:
	308	dataset.xmin = np.min(dataset.qx_data)
	309	dataset.xmax = np.max(dataset.qx_data)
	310	dataset.qx_data = dataset.qx_data.astype(np.float64)
	311	if dataset.dqx_data is not None:
	312	dataset.dqx_data = dataset.dqx_data.astype(np.float64)
	313	if dataset.qy_data is not None:
	314	dataset.ymin = np.min(dataset.qy_data)
	315	dataset.ymax = np.max(dataset.qy_data)
	316	dataset.qy_data = dataset.qy_data.astype(np.float64)
	317	if dataset.dqy_data is not None:
	318	dataset.dqy_data = dataset.dqy_data.astype(np.float64)
	319	if dataset.q_data is not None:
	320	dataset.q_data = dataset.q_data.astype(np.float64)
	321	zeros = np.ones(dataset.data.size, dtype=bool)
	322	try:
	323	for i in range (0, dataset.mask.size - 1):
	324	zeros[i] = dataset.mask[i]
	325	except:
	326	self.errors.add(sys.exc_value)
	327	dataset.mask = zeros
	328	## Calculate the actual Q matrix
	329	try:
	330	if dataset.q_data.size <= 1:
	331	dataset.q_data = np.sqrt(dataset.qx_data * dataset.qx_data + dataset.qy_data * dataset.qy_data)
	332	except:
	333	dataset.q_data = None
[a9d3abb]	334
	335	if dataset.data.ndim == 2:
	336	(n_rows, n_cols) = dataset.data.shape
[1b06e13a]	337	dataset.y_bins = dataset.qy_data[0::n_cols]
[a9d3abb]	338	dataset.x_bins = dataset.qx_data[:n_cols]
	339	dataset.data = dataset.data.flatten()
	340
[132db16]	341	final_dataset = combine_data_info_with_plottable(dataset, self.current_datainfo)
	342	self.output.append(final_dataset)
	343
	344	for dataset in self.data1d:
	345	if dataset.x is not None:
	346	dataset.x = dataset.x.astype(np.float64)
	347	dataset.xmin = np.min(dataset.x)
	348	dataset.xmax = np.max(dataset.x)
	349	if dataset.y is not None:
	350	dataset.y = dataset.y.astype(np.float64)
	351	dataset.ymin = np.min(dataset.y)
	352	dataset.ymax = np.max(dataset.y)
	353	if dataset.dx is not None:
	354	dataset.dx = dataset.dx.astype(np.float64)
	355	if dataset.dxl is not None:
	356	dataset.dxl = dataset.dxl.astype(np.float64)
	357	if dataset.dxw is not None:
	358	dataset.dxw = dataset.dxw.astype(np.float64)
	359	if dataset.dy is not None:
	360	dataset.dy = dataset.dy.astype(np.float64)
	361	final_dataset = combine_data_info_with_plottable(dataset, self.current_datainfo)
	362	self.output.append(final_dataset)
	363
[68aa210]	364	def add_data_set(self, key=""):
	365	"""
	366	Adds the current_dataset to the list of outputs after preforming final processing on the data and then calls a
	367	private method to generate a new data set.
	368
	369	:param key: NeXus group name for current tree level
	370	"""
[132db16]	371
	372	if self.current_datainfo and self.current_dataset:
[68aa210]	373	self.final_data_cleanup()
[132db16]	374	self.data1d = []
	375	self.data2d = []
	376	self.current_datainfo = DataInfo()
[68aa210]	377
[132db16]	378	def _initialize_new_data_set(self, parent_list = None):
[68aa210]	379	"""
	380	A private class method to generate a new 1D or 2D data object based on the type of data within the set.
	381	Outside methods should call add_data_set() to be sure any existing data is stored properly.
	382
[132db16]	383	:param parent_list: List of names of parent elements
[68aa210]	384	"""
[132db16]	385
	386	if parent_list is None:
	387	parent_list = []
	388	if self._find_intermediate(parent_list, "Qx"):
	389	self.current_dataset = plottable_2D()
[68aa210]	390	else:
	391	x = np.array(0)
	392	y = np.array(0)
[132db16]	393	self.current_dataset = plottable_1D(x, y)
	394	self.current_datainfo.filename = self.raw_data.filename
[68aa210]	395
[132db16]	396	def _find_intermediate(self, parent_list, basename=""):
[ad52d31]	397	"""
	398	A private class used to find an entry by either using a direct key or knowing the approximate basename.
	399
[132db16]	400	:param parent_list: List of parents to the current level in the HDF5 file
	401	:param basename: Approximate name of an entry to search for
[ad52d31]	402	:return:
	403	"""
[132db16]	404
	405	entry = False
	406	key_prog = re.compile(basename)
	407	top = self.raw_data
	408	for parent in parent_list:
	409	top = top.get(parent)
	410	for key in top.keys():
	411	if (key_prog.match(key)):
	412	entry = True
	413	break
[ad52d31]	414	return entry
	415
[68aa210]	416	def _create_unique_key(self, dictionary, name, numb=0):
	417	"""
	418	Create a unique key value for any dictionary to prevent overwriting
	419	Recurses until a unique key value is found.
	420
	421	:param dictionary: A dictionary with any number of entries
	422	:param name: The index of the item to be added to dictionary
	423	:param numb: The number to be appended to the name, starts at 0
[132db16]	424	:return: The new name for the dictionary entry
[68aa210]	425	"""
	426	if dictionary.get(name) is not None:
	427	numb += 1
	428	name = name.split("_")[0]
	429	name += "_{0}".format(numb)
	430	name = self._create_unique_key(dictionary, name, numb)
[d398285]	431	return name
	432
	433	def _get_unit(self, value):
	434	"""
	435	Find the unit for a particular value within the h5py dictionary
	436
	437	:param value: attribute dictionary for a particular value set
[132db16]	438	:return: unit for the value passed to the method
[d398285]	439	"""
	440	unit = value.attrs.get(u'units')
	441	if unit == None:
	442	unit = value.attrs.get(u'unit')
	443	## Convert the unit formats
	444	if unit == "1/A":
	445	unit = "A^{-1}"
	446	elif unit == "1/cm":
	447	unit = "cm^{-1}"
	448	return unit

Note: See TracBrowser for help on using the repository browser.

SasView

source: sasview/src/sas/sascalc/dataloader/readers/cansas_reader_HDF5.py @ d13386c

Download in other formats: