def action_background_args_changed(self):
if self.view.auto_bkg.currentText() == "None":
ConfigService.setString(self.AUTO_BACKGROUND, "")
else:
background_string = self.view.auto_bkg.currentText(
) + " " + self.view.background_args.text()
ConfigService.setString(self.AUTO_BACKGROUND, background_string)
def action_show_minor_ticks_changed(self, state):
ConfigService.setString(PlotProperties.SHOW_MINOR_TICKS.value,
"On" if state == Qt.Checked else "Off")
self.view.show_minor_gridlines.setEnabled(state == Qt.Checked)
if not self.view.show_minor_gridlines.isEnabled():
self.view.show_minor_gridlines.setChecked(False)
def action_auto_background_changed(self, item_name):
if item_name == "None":
ConfigService.setString(FittingProperties.AUTO_BACKGROUND.value,
"")
return
background_string = item_name + " " + self.view.background_args.text()
ConfigService.setString(FittingProperties.AUTO_BACKGROUND.value,
background_string)
def action_usage_data_changed(self, checkedState):
if not checkedState:
response = self.usage_reporting_verification_view.exec()
if not response:
# No was clicked, or no button was clicked
# set the checkbox back to checked
checkedState = Qt.Checked
self.view.chkAllowUsageData.setCheckState(checkedState)
ConfigService.setString(self.USAGE_REPORTING, "1" if checkedState == Qt.Checked else "0")
def action_show_invisible_workspaces(self, state):
ConfigService.setString(
GeneralProperties.SHOW_INVISIBLE_WORKSPACES.value,
str(bool(state)))
def action_crystallography_convention(self, state):
ConfigService.setString(
GeneralProperties.CRYSTALLOGRAPY_CONV.value,
"Crystallography" if state == Qt.Checked else "Inelastic")
def action_time_between_recovery(self, value):
ConfigService.setString(
GeneralProperties.PR_TIME_BETWEEN_RECOVERY.value, str(value))
def action_use_notifications_modified(self, state):
ConfigService.setString(GeneralProperties.USE_NOTIFICATIONS.value,
"On" if bool(state) else "Off")
def set_hidden_algorithms_string(self, _):
categories_string = ';'.join(
self._create_hidden_categories_string(
self.view.algorithm_tree_widget))
ConfigService.setString(self.HIDDEN_ALGORITHMS, categories_string)
def action_total_number_checkpoints(self, value):
ConfigService.setString(self.PR_NUMBER_OF_CHECKPOINTS, str(value))
def action_capsize_changed(self, value):
ConfigService.setString(PlotProperties.CAPSIZE.value, str(value))
def action_show_title_changed(self, state):
ConfigService.setString(PlotProperties.SHOW_TITLE.value,
"On" if state == Qt.Checked else "Off")
def action_normalization_changed(self, state):
ConfigService.setString(PlotProperties.NORMALIZATION.value,
"On" if state == Qt.Checked else "Off")
def action_project_recovery_enabled(self, state):
ConfigService.setString(self.PR_RECOVERY_ENABLED, str(bool(state)))
def action_show_invisible_workspaces(self, state):
ConfigService.setString(self.SHOW_INVISIBLE_WORKSPACES, str(bool(state)))
def action_instrument_changed(self, new_instrument):
ConfigService.setString(self.INSTRUMENT, new_instrument)
def __init__(self, Ion, Symmetry, **kwargs):
"""
Constructor.
@param Ion: A rare earth ion. Possible values:
Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb
@param Symmetry: Symmetry of the field. Possible values:
C1, Ci, C2, Cs, C2h, C2v, D2, D2h, C4, S4, C4h, D4, C4v, D2d, D4h, C3,
S6, D3, C3v, D3d, C6, C3h, C6h, D6, C6v, D3h, D6h, T, Td, Th, O, Oh
@param kwargs: Other field parameters and attributes. Acceptable values include:
ToleranceEnergy: energy tolerance,
ToleranceIntensity: intensity tolerance,
ResolutionModel: A resolution model.
FWHMVariation: Absolute value of allowed variation of a peak width during a fit.
FixAllPeaks: A boolean flag that fixes all parameters of the peaks.
Field parameters:
BmolX: The x-component of the molecular field,
BmolY: The y-component of the molecular field,
BmolZ: The z-component of the molecular field,
BextX: The x-component of the external field,
BextY: The y-component of the external field,
BextZ: The z-component of the external field,
B20: Real part of the B20 field parameter,
B21: Real part of the B21 field parameter,
B22: Real part of the B22 field parameter,
B40: Real part of the B40 field parameter,
B41: Real part of the B41 field parameter,
B42: Real part of the B42 field parameter,
B43: Real part of the B43 field parameter,
B44: Real part of the B44 field parameter,
B60: Real part of the B60 field parameter,
B61: Real part of the B61 field parameter,
B62: Real part of the B62 field parameter,
B63: Real part of the B63 field parameter,
B64: Real part of the B64 field parameter,
B65: Real part of the B65 field parameter,
B66: Real part of the B66 field parameter,
IB21: Imaginary part of the B21 field parameter,
IB22: Imaginary part of the B22 field parameter,
IB41: Imaginary part of the B41 field parameter,
IB42: Imaginary part of the B42 field parameter,
IB43: Imaginary part of the B43 field parameter,
IB44: Imaginary part of the B44 field parameter,
IB61: Imaginary part of the B61 field parameter,
IB62: Imaginary part of the B62 field parameter,
IB63: Imaginary part of the B63 field parameter,
IB64: Imaginary part of the B64 field parameter,
IB65: Imaginary part of the B65 field parameter,
IB66: Imaginary part of the B66 field parameter,
Each of the following parameters can be either a single float or an array of floats.
They are either all floats or all arrays of the same size.
IntensityScaling: A scaling factor for the intensity of each spectrum.
FWHM: A default value for the full width at half maximum of the peaks.
Temperature: A temperature "of the spectrum" in Kelvin
"""
# This is to make sure that Lorentzians get evaluated properly
ConfigService.setString('curvefitting.peakRadius', str(100))
from .function import PeaksFunction
self._ion = Ion
self._symmetry = Symmetry
self._toleranceEnergy = 1e-10
self._toleranceIntensity = 1e-1
self._fieldParameters = {}
self._fieldTies = {}
self._fieldConstraints = []
self._temperature = None
self._FWHM = None
self._intensityScaling = 1.0
self._resolutionModel = None
self._fwhmVariation = None
self._fixAllPeaks = False
for key in kwargs:
if key == 'ToleranceEnergy':
self._toleranceEnergy = kwargs[key]
elif key == 'ToleranceIntensity':
self._toleranceIntensity = kwargs[key]
elif key == 'IntensityScaling':
self._intensityScaling = kwargs[key]
elif key == 'FWHM':
self._FWHM = kwargs[key]
elif key == 'ResolutionModel':
self.ResolutionModel = kwargs[key]
elif key == 'Temperature':
self._temperature = kwargs[key]
elif key == 'FWHMVariation':
self._fwhmVariation = kwargs[key]
elif key == 'FixAllPeaks':
self._fixAllPeaks = kwargs[key]
else:
# Crystal field parameters
self._fieldParameters[key] = kwargs[key]
if isinstance(self._temperature, list) or isinstance(self._temperature, np.ndarray):
self.peaks = [PeaksFunction(firstIndex=1) for _ in self._temperature]
else:
self.peaks = PeaksFunction()
self.background = None
# Eigensystem
self._dirty_eigensystem = True
self._eigenvalues = None
self._eigenvectors = None
self._hamiltonian = None
# Peak lists
self._dirty_peaks = True
self._peakList = None
# Spectra
self._dirty_spectra = True
self._spectra = {}
self._plot_window = {}
self._setDefaultTies()
self.chi2 = None
def action_error_every_changed(self, value):
ConfigService.setString(PlotProperties.ERROR_EVERY.value, str(value))
def action_error_width_changed(self, value):
ConfigService.setString(PlotProperties.ERROR_WIDTH.value, str(value))
def action_legend_size_changed(self, value):
ConfigService.setString(PlotProperties.LEGEND_FONT_SIZE.value,
str(value))
def action_cap_thickness_changed(self, value):
ConfigService.setString(PlotProperties.CAP_THICKNESS.value, str(value))
def action_time_between_recovery(self, value):
ConfigService.setString(self.PR_TIME_BETWEEN_RECOVERY, str(value))
def action_legend_location_changed(self, location):
ConfigService.setString(PlotProperties.LEGEND_LOCATION.value,
str(location))
def action_show_minor_gridlines_changed(self, state):
ConfigService.setString(PlotProperties.SHOW_MINOR_GRIDLINES.value,
"On" if state == Qt.Checked else "Off")
def action_default_colormap_changed(self):
colormap = self.view.default_colormap_combo_box.currentText()
if self.view.reverse_colormap_check_box.isChecked():
colormap += '_r'
ConfigService.setString(PlotProperties.COLORMAP.value, colormap)
def action_default_y_axes_changed(self, axes_scale):
ConfigService.setString(PlotProperties.Y_AXES_SCALE.value, axes_scale)
def set_hidden_interfaces_string(self, _):
categories_string = ';'.join(
self._create_hidden_categories_string(
self.view.interface_tree_widget))
ConfigService.setString(self.HIDDEN_INTERFACES, categories_string)
def action_line_style_changed(self, style):
ConfigService.setString(PlotProperties.LINE_STYLE.value, style)
def action_project_recovery_enabled(self, state):
ConfigService.setString(GeneralProperties.PR_RECOVERY_ENABLED.value,
str(bool(state)))
def action_draw_style_changed(self, style):
ConfigService.setString(PlotProperties.DRAW_STYLE.value, style)
def action_total_number_checkpoints(self, value):
ConfigService.setString(
GeneralProperties.PR_NUMBER_OF_CHECKPOINTS.value, str(value))
def action_line_width_changed(self, value):
ConfigService.setString(PlotProperties.LINE_WIDTH.value, str(value))
def action_instrument_changed(self, new_instrument):
current_value = ConfigService.getString(
GeneralProperties.INSTRUMENT.value)
if new_instrument != current_value:
ConfigService.setString(GeneralProperties.INSTRUMENT.value,
new_instrument)
def action_marker_style_changed(self, style):
ConfigService.setString(PlotProperties.MARKER_STYLE.value, style)
def action_use_open_gl(self, state):
ConfigService.setString(GeneralProperties.OPENGL.value,
"On" if bool(state) else "Off")
def action_marker_size_changed(self, value):
ConfigService.setString(PlotProperties.MARKER_SIZE.value, str(value))