""" Module that contains classes to hold information read from reduced data files. A good description of the data members can be found in the CanSAS 1D XML data format: http://www.smallangles.net/wgwiki/index.php/cansas1d_documentation """ ##################################################################### #This software was developed by the University of Tennessee as part of the #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) #project funded by the US National Science Foundation. #See the license text in license.txt #copyright 2008, University of Tennessee ###################################################################### #TODO: Keep track of data manipulation in the 'process' data structure. #TODO: This module should be independent of plottables. We should write # an adapter class for plottables when needed. #from sans.guitools.plottables import Data1D as plottable_1D from data_util.uncertainty import Uncertainty import numpy import math class plottable_1D: """ Data1D is a place holder for 1D plottables. """ # The presence of these should be mutually # exclusive with the presence of Qdev (dx) x = None y = None dx = None dy = None ## Slit smearing length dxl = None ## Slit smearing width dxw = None # Units _xaxis = '' _xunit = '' _yaxis = '' _yunit = '' def __init__(self, x, y, dx=None, dy=None, dxl=None, dxw=None): self.x = numpy.asarray(x) self.y = numpy.asarray(y) if dx is not None: self.dx = numpy.asarray(dx) if dy is not None: self.dy = numpy.asarray(dy) if dxl is not None: self.dxl = numpy.asarray(dxl) if dxw is not None: self.dxw = numpy.asarray(dxw) def xaxis(self, label, unit): """ set the x axis label and unit """ self._xaxis = label self._xunit = unit def yaxis(self, label, unit): """ set the y axis label and unit """ self._yaxis = label self._yunit = unit class plottable_2D: """ Data2D is a place holder for 2D plottables. """ xmin = None xmax = None ymin = None ymax = None data = None qx_data = None qy_data = None q_data = None err_data = None dqx_data = None dqy_data = None mask = None # Units _xaxis = '' _xunit = '' _yaxis = '' _yunit = '' _zaxis = '' _zunit = '' def __init__(self, data=None, err_data=None, qx_data=None, qy_data=None, q_data=None, mask=None, dqx_data=None, dqy_data=None): self.data = numpy.asarray(data) self.qx_data = numpy.asarray(qx_data) self.qy_data = numpy.asarray(qy_data) self.q_data = numpy.asarray(q_data) self.mask = numpy.asarray(mask) self.err_data = numpy.asarray(err_data) if dqx_data is not None: self.dqx_data = numpy.asarray(dqx_data) if dqy_data is not None: self.dqy_data = numpy.asarray(dqy_data) def xaxis(self, label, unit): """ set the x axis label and unit """ self._xaxis = label self._xunit = unit def yaxis(self, label, unit): """ set the y axis label and unit """ self._yaxis = label self._yunit = unit def zaxis(self, label, unit): """ set the z axis label and unit """ self._zaxis = label self._zunit = unit class Vector: """ Vector class to hold multi-dimensional objects """ ## x component x = None ## y component y = None ## z component z = None def __init__(self, x=None, y=None, z=None): """ Initialization. Components that are not set a set to None by default. :param x: x component :param y: y component :param z: z component """ self.x = x self.y = y self.z = z def __str__(self): msg = "x = %s\ty = %s\tz = %s" % (str(self.x), str(self.y), str(self.z)) return msg class Detector: """ Class to hold detector information """ ## Name of the instrument [string] name = None ## Sample to detector distance [float] [mm] distance = None distance_unit = 'mm' ## Offset of this detector position in X, Y, #(and Z if necessary) [Vector] [mm] offset = None offset_unit = 'm' ## Orientation (rotation) of this detector in roll, # pitch, and yaw [Vector] [degrees] orientation = None orientation_unit = 'degree' ## Center of the beam on the detector in X and Y #(and Z if necessary) [Vector] [mm] beam_center = None beam_center_unit = 'mm' ## Pixel size in X, Y, (and Z if necessary) [Vector] [mm] pixel_size = None pixel_size_unit = 'mm' ## Slit length of the instrument for this detector.[float] [mm] slit_length = None slit_length_unit = 'mm' def __init__(self): """ Initialize class attribute that are objects... """ self.offset = Vector() self.orientation = Vector() self.beam_center = Vector() self.pixel_size = Vector() def __str__(self): _str = "Detector:\n" _str += " Name: %s\n" % self.name _str += " Distance: %s [%s]\n" % \ (str(self.distance), str(self.distance_unit)) _str += " Offset: %s [%s]\n" % \ (str(self.offset), str(self.offset_unit)) _str += " Orientation: %s [%s]\n" % \ (str(self.orientation), str(self.orientation_unit)) _str += " Beam center: %s [%s]\n" % \ (str(self.beam_center), str(self.beam_center_unit)) _str += " Pixel size: %s [%s]\n" % \ (str(self.pixel_size), str(self.pixel_size_unit)) _str += " Slit length: %s [%s]\n" % \ (str(self.slit_length), str(self.slit_length_unit)) return _str class Aperture: ## Name name = None ## Type type = None ## Size name size_name = None ## Aperture size [Vector] size = None size_unit = 'mm' ## Aperture distance [float] distance = None distance_unit = 'mm' def __init__(self): self.size = Vector() class Collimation: """ Class to hold collimation information """ ## Name name = None ## Length [float] [mm] length = None length_unit = 'mm' ## Aperture aperture = None def __init__(self): self.aperture = [] def __str__(self): _str = "Collimation:\n" _str += " Length: %s [%s]\n" % \ (str(self.length), str(self.length_unit)) for item in self.aperture: _str += " Aperture size:%s [%s]\n" % \ (str(item.size), str(item.size_unit)) _str += " Aperture_dist:%s [%s]\n" % \ (str(item.distance), str(item.distance_unit)) return _str class Source: """ Class to hold source information """ ## Name name = None ## Radiation type [string] radiation = None ## Beam size name beam_size_name = None ## Beam size [Vector] [mm] beam_size = None beam_size_unit = 'mm' ## Beam shape [string] beam_shape = None ## Wavelength [float] [Angstrom] wavelength = None wavelength_unit = 'A' ## Minimum wavelength [float] [Angstrom] wavelength_min = None wavelength_min_unit = 'nm' ## Maximum wavelength [float] [Angstrom] wavelength_max = None wavelength_max_unit = 'nm' ## Wavelength spread [float] [Angstrom] wavelength_spread = None wavelength_spread_unit = 'percent' def __init__(self): self.beam_size = Vector() def __str__(self): _str = "Source:\n" _str += " Radiation: %s\n" % str(self.radiation) _str += " Shape: %s\n" % str(self.beam_shape) _str += " Wavelength: %s [%s]\n" % \ (str(self.wavelength), str(self.wavelength_unit)) _str += " Waveln_min: %s [%s]\n" % \ (str(self.wavelength_min), str(self.wavelength_min_unit)) _str += " Waveln_max: %s [%s]\n" % \ (str(self.wavelength_max), str(self.wavelength_max_unit)) _str += " Waveln_spread:%s [%s]\n" % \ (str(self.wavelength_spread), str(self.wavelength_spread_unit)) _str += " Beam_size: %s [%s]\n" % \ (str(self.beam_size), str(self.beam_size_unit)) return _str """ Definitions of radiation types """ NEUTRON = 'neutron' XRAY = 'x-ray' MUON = 'muon' ELECTRON = 'electron' class Sample: """ Class to hold the sample description """ ## Short name for sample name = '' ## ID ID = '' ## Thickness [float] [mm] thickness = None thickness_unit = 'mm' ## Transmission [float] [fraction] transmission = None ## Temperature [float] [C] temperature = None temperature_unit = 'C' ## Position [Vector] [mm] position = None position_unit = 'mm' ## Orientation [Vector] [degrees] orientation = None orientation_unit = 'degree' ## Details details = None def __init__(self): self.position = Vector() self.orientation = Vector() self.details = [] def __str__(self): _str = "Sample:\n" _str += " ID: %s\n" % str(self.ID) _str += " Transmission: %s\n" % str(self.transmission) _str += " Thickness: %s [%s]\n" % \ (str(self.thickness), str(self.thickness_unit)) _str += " Temperature: %s [%s]\n" % \ (str(self.temperature), str(self.temperature_unit)) _str += " Position: %s [%s]\n" % \ (str(self.position), str(self.position_unit)) _str += " Orientation: %s [%s]\n" % \ (str(self.orientation), str(self.orientation_unit)) _str += " Details:\n" for item in self.details: _str += " %s\n" % item return _str class Process: """ Class that holds information about the processes performed on the data. """ name = '' date = '' description = '' term = None notes = None def __init__(self): self.term = [] self.notes = [] def __str__(self): _str = "Process:\n" _str += " Name: %s\n" % self.name _str += " Date: %s\n" % self.date _str += " Description: %s\n" % self.description for item in self.term: _str += " Term: %s\n" % item for item in self.notes: _str += " Note: %s\n" % item return _str class DataInfo: """ Class to hold the data read from a file. It includes four blocks of data for the instrument description, the sample description, the data itself and any other meta data. """ ## Title title = '' ## Run number run = None ## Run name run_name = None ## File name filename = '' ## Notes notes = None ## Processes (Action on the data) process = None ## Instrument name instrument = '' ## Detector information detector = None ## Sample information sample = None ## Source information source = None ## Collimation information collimation = None ## Additional meta-data meta_data = None ## Loading errors errors = None def __init__(self): """ Initialization """ ## Title self.title = '' ## Run number self.run = [] self.run_name = {} ## File name self.filename = '' ## Notes self.notes = [] ## Processes (Action on the data) self.process = [] ## Instrument name self.instrument = '' ## Detector information self.detector = [] ## Sample information self.sample = Sample() ## Source information self.source = Source() ## Collimation information self.collimation = [] ## Additional meta-data self.meta_data = {} ## Loading errors self.errors = [] def append_empty_process(self): """ """ self.process.append(Process()) def add_notes(self, message=""): """ Add notes to datainfo """ self.notes.append(message) def __str__(self): """ Nice printout """ _str = "File: %s\n" % self.filename _str += "Title: %s\n" % self.title _str += "Run: %s\n" % str(self.run) _str += "Instrument: %s\n" % str(self.instrument) _str += "%s\n" % str(self.sample) _str += "%s\n" % str(self.source) for item in self.detector: _str += "%s\n" % str(item) for item in self.collimation: _str += "%s\n" % str(item) for item in self.process: _str += "%s\n" % str(item) for item in self.notes: _str += "%s\n" % str(item) return _str # Private method to perform operation. Not implemented for DataInfo, # but should be implemented for each data class inherited from DataInfo # that holds actual data (ex.: Data1D) def _perform_operation(self, other, operation): """ Private method to perform operation. Not implemented for DataInfo, but should be implemented for each data class inherited from DataInfo that holds actual data (ex.: Data1D) """ return NotImplemented def __add__(self, other): """ Add two data sets :param other: data set to add to the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return a + b return self._perform_operation(other, operation) def __radd__(self, other): """ Add two data sets :param other: data set to add to the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return b + a return self._perform_operation(other, operation) def __sub__(self, other): """ Subtract two data sets :param other: data set to subtract from the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return a - b return self._perform_operation(other, operation) def __rsub__(self, other): """ Subtract two data sets :param other: data set to subtract from the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return b - a return self._perform_operation(other, operation) def __mul__(self, other): """ Multiply two data sets :param other: data set to subtract from the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return a * b return self._perform_operation(other, operation) def __rmul__(self, other): """ Multiply two data sets :param other: data set to subtract from the current one :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return b * a return self._perform_operation(other, operation) def __div__(self, other): """ Divided a data set by another :param other: data set that the current one is divided by :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return a/b return self._perform_operation(other, operation) def __rdiv__(self, other): """ Divided a data set by another :param other: data set that the current one is divided by :return: new data set :raise ValueError: raised when two data sets are incompatible """ def operation(a, b): return b/a return self._perform_operation(other, operation) class Data1D(plottable_1D, DataInfo): """ 1D data class """ x_unit = '1/A' y_unit = '1/cm' def __init__(self, x, y, dx=None, dy=None): DataInfo.__init__(self) plottable_1D.__init__(self, x, y, dx, dy) def __str__(self): """ Nice printout """ _str = "%s\n" % DataInfo.__str__(self) _str += "Data:\n" _str += " Type: %s\n" % self.__class__.__name__ _str += " X-axis: %s\t[%s]\n" % (self._xaxis, self._xunit) _str += " Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit) _str += " Length: %g\n" % len(self.x) return _str def is_slit_smeared(self): """ Check whether the data has slit smearing information :return: True is slit smearing info is present, False otherwise """ def _check(v): if (v.__class__ == list or v.__class__ == numpy.ndarray) \ and len(v) > 0 and min(v) > 0: return True return False return _check(self.dxl) or _check(self.dxw) def clone_without_data(self, length=0, clone=None): """ Clone the current object, without copying the data (which will be filled out by a subsequent operation). The data arrays will be initialized to zero. :param length: length of the data array to be initialized :param clone: if provided, the data will be copied to clone """ from copy import deepcopy if clone is None or not issubclass(clone.__class__, Data1D): x = numpy.zeros(length) dx = numpy.zeros(length) y = numpy.zeros(length) dy = numpy.zeros(length) clone = Data1D(x, y, dx=dx, dy=dy) clone.title = self.title clone.run = self.run clone.filename = self.filename clone.instrument = self.instrument clone.notes = deepcopy(self.notes) clone.process = deepcopy(self.process) clone.detector = deepcopy(self.detector) clone.sample = deepcopy(self.sample) clone.source = deepcopy(self.source) clone.collimation = deepcopy(self.collimation) clone.meta_data = deepcopy(self.meta_data) clone.errors = deepcopy(self.errors) return clone def _validity_check(self, other): """ Checks that the data lengths are compatible. Checks that the x vectors are compatible. Returns errors vectors equal to original errors vectors if they were present or vectors of zeros when none was found. :param other: other data set for operation :return: dy for self, dy for other [numpy arrays] :raise ValueError: when lengths are not compatible """ dy_other = None if isinstance(other, Data1D): # Check that data lengths are the same if len(self.x) != len(other.x) or \ len(self.y) != len(other.y): msg = "Unable to perform operation: data length are not equal" raise ValueError, msg # Here we could also extrapolate between data points for i in range(len(self.x)): if self.x[i] != other.x[i]: msg = "Incompatible data sets: x-values do not match" raise ValueError, msg if self.dxl != None and other.dxl == None: msg = "Incompatible data sets: dxl-values do not match" raise ValueError, msg if self.dxl == None and other.dxl != None: msg = "Incompatible data sets: dxl-values do not match" raise ValueError, msg if self.dxw != None and other.dxw == None: msg = "Incompatible data sets: dxw-values do not match" raise ValueError, msg if self.dxw == None and other.dxw != None: msg = "Incompatible data sets: dxw-values do not match" raise ValueError, msg # Check that the other data set has errors, otherwise # create zero vector dy_other = other.dy if other.dy == None or (len(other.dy) != len(other.y)): dy_other = numpy.zeros(len(other.y)) # Check that we have errors, otherwise create zero vector dy = self.dy if self.dy == None or (len(self.dy) != len(self.y)): dy = numpy.zeros(len(self.y)) return dy, dy_other def _perform_operation(self, other, operation): """ """ # First, check the data compatibility dy, dy_other = self._validity_check(other) result = self.clone_without_data(len(self.x)) if self.dxw == None: result.dxw = None else: result.dxw = numpy.zeros(len(self.x)) if self.dxl == None: result.dxl = None else: result.dxl = numpy.zeros(len(self.x)) for i in range(len(self.x)): result.x[i] = self.x[i] if self.dx is not None and len(self.x) == len(self.dx): result.dx[i] = self.dx[i] if self.dxw is not None and len(self.x) == len(self.dxw): result.dxw[i] = self.dxw[i] if self.dxl is not None and len(self.x) == len(self.dxl): result.dxl[i] = self.dxl[i] a = Uncertainty(self.y[i], dy[i]**2) if isinstance(other, Data1D): b = Uncertainty(other.y[i], dy_other[i]**2) if other.dx is not None: result.dx[i] *= self.dx[i] result.dx[i] += (other.dx[i]**2) result.dx[i] /= 2 result.dx[i] = math.sqrt(result.dx[i]) if result.dxl is not None and other.dxl is not None: result.dxl[i] *= self.dxl[i] other.dxl[i] += (other.dxl[i]**2) result.dxl[i] /= 2 result.dxl[i] = math.sqrt(result.dxl[i]) if result.dxw is not None and self.dxw is not None: result.dxw[i] *= self.dxw[i] other.dxw[i] += (other.dxw[i]**2) result.dxw[i] /= 2 result.dxw[i] = math.sqrt(result.dxw[i]) else: b = other output = operation(a, b) result.y[i] = output.x result.dy[i] = math.sqrt(math.fabs(output.variance)) return result class Data2D(plottable_2D, DataInfo): """ 2D data class """ ## Units for Q-values Q_unit = '1/A' ## Units for I(Q) values I_unit = '1/cm' ## Vector of Q-values at the center of each bin in x x_bins = None ## Vector of Q-values at the center of each bin in y y_bins = None def __init__(self, data=None, err_data=None, qx_data=None, qy_data=None, q_data=None, mask=None, dqx_data=None, dqy_data=None): self.y_bins = [] self.x_bins = [] DataInfo.__init__(self) plottable_2D.__init__(self, data, err_data, qx_data, qy_data, q_data, mask, dqx_data, dqy_data) if len(self.detector) > 0: raise RuntimeError, "Data2D: Detector bank already filled at init" def __str__(self): _str = "%s\n" % DataInfo.__str__(self) _str += "Data:\n" _str += " Type: %s\n" % self.__class__.__name__ _str += " X- & Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit) _str += " Z-axis: %s\t[%s]\n" % (self._zaxis, self._zunit) #leny = 0 #if len(self.data) > 0: # leny = len(self.data) _str += " Length: %g \n" % (len(self.data)) return _str def clone_without_data(self, length=0, clone=None): """ Clone the current object, without copying the data (which will be filled out by a subsequent operation). The data arrays will be initialized to zero. :param length: length of the data array to be initialized :param clone: if provided, the data will be copied to clone """ from copy import deepcopy if clone is None or not issubclass(clone.__class__, Data2D): data = numpy.zeros(length) err_data = numpy.zeros(length) qx_data = numpy.zeros(length) qy_data = numpy.zeros(length) q_data = numpy.zeros(length) mask = numpy.zeros(length) dqx_data = None dqy_data = None clone = Data2D(data, err_data, qx_data, qy_data, q_data, mask, dqx_data=dqx_data, dqy_data=dqy_data) clone.title = self.title clone.run = self.run clone.filename = self.filename clone.instrument = self.instrument clone.notes = deepcopy(self.notes) clone.process = deepcopy(self.process) clone.detector = deepcopy(self.detector) clone.sample = deepcopy(self.sample) clone.source = deepcopy(self.source) clone.collimation = deepcopy(self.collimation) clone.meta_data = deepcopy(self.meta_data) clone.errors = deepcopy(self.errors) return clone def _validity_check(self, other): """ Checks that the data lengths are compatible. Checks that the x vectors are compatible. Returns errors vectors equal to original errors vectors if they were present or vectors of zeros when none was found. :param other: other data set for operation :return: dy for self, dy for other [numpy arrays] :raise ValueError: when lengths are not compatible """ err_other = None if isinstance(other, Data2D): # Check that data lengths are the same if numpy.size(self.data) != numpy.size(other.data): msg = "Unable to perform operation: data length are not equal" raise ValueError, msg if numpy.size(self.qx_data) != numpy.size(other.qx_data): msg = "Unable to perform operation: data length are not equal" raise ValueError, msg if numpy.size(self.qy_data) != numpy.size(other.qy_data): msg = "Unable to perform operation: data length are not equal" raise ValueError, msg # Here we could also extrapolate between data points for i in range(len(self.data)): if self.qx_data[i] != other.qx_data[i]: msg = "Incompatible data sets: qx-values do not match" raise ValueError, msg if self.qy_data[i] != other.qy_data[i]: msg = "Incompatible data sets: qy-values do not match" raise ValueError, msg # Check that the scales match err_other = other.err_data if other.err_data == None or \ (numpy.size(other.err_data) != numpy.size(other.data)): err_other = numpy.zeros(numpy.size(other.data)) # Check that we have errors, otherwise create zero vector err = self.err_data if self.err_data == None or \ (numpy.size(self.err_data) != numpy.size(self.data)): err = numpy.zeros(numpy.size(other.data)) return err, err_other def _perform_operation(self, other, operation): """ Perform 2D operations between data sets :param other: other data set :param operation: function defining the operation """ # First, check the data compatibility dy, dy_other = self._validity_check(other) result = self.clone_without_data(numpy.size(self.data)) result.xmin = self.xmin result.xmax = self.xmax result.ymin = self.ymin result.ymax = self.ymax if self.dqx_data == None or self.dqy_data == None: result.dqx_data = None result.dqy_data = None else: result.dqx_data = numpy.zeros(len(self.data)) result.dqy_data = numpy.zeros(len(self.data)) for i in range(numpy.size(self.data)): result.data[i] = self.data[i] if self.err_data is not None and \ numpy.size(self.data) == numpy.size(self.err_data): result.err_data[i] = self.err_data[i] if self.dqx_data is not None: result.dqx_data[i] = self.dqx_data[i] if self.dqy_data is not None: result.dqy_data[i] = self.dqy_data[i] result.qx_data[i] = self.qx_data[i] result.qy_data[i] = self.qy_data[i] result.q_data[i] = self.q_data[i] result.mask[i] = self.mask[i] a = Uncertainty(self.data[i], dy[i]**2) if isinstance(other, Data2D): b = Uncertainty(other.data[i], dy_other[i]**2) if other.dqx_data is not None and \ result.dqx_data is not None: result.dqx_data[i] *= self.dqx_data[i] result.dqx_data[i] += (other.dqx_data[i]**2) result.dqx_data[i] /= 2 result.dqx_data[i] = math.sqrt(result.dqx_data[i]) if other.dqy_data is not None and \ result.dqy_data is not None: result.dqy_data[i] *= self.dqy_data[i] result.dqy_data[i] += (other.dqy_data[i]**2) result.dqy_data[i] /= 2 result.dqy_data[i] = math.sqrt(result.dqy_data[i]) else: b = other output = operation(a, b) result.data[i] = output.x result.err_data[i] = math.sqrt(math.fabs(output.variance)) return result