def checkValidSampleNormalization(self, event, massSB):
string = self.text()
try:
mass = calculateMolarMass(string)
self.setStyleSheet("color: black;")
except AttributeError as e:
self.setStyleSheet("color: red;")
_GUItools.dialog(
'When parsing "{}" following error occured:\n'.format(string) +
str(e))
if not event is None:
self.focusOutEvent_old2(event)
return None
if len(
string
) != 0 and mass == 0: # A string was provided but no mass found, typically error in input
self.setStyleSheet("color: red;")
_GUItools.dialog(
'When parsing "{}" no mass was found. Please format the chemical formula correctly, e.g. MnF2'
.format(string))
elif len(string) == 0:
mass = calculateMolarMass(self.placeholderText())
massSB.setValue(mass)
else:
massSB.setValue(mass)
if not event is None:
self.focusOutEvent_old2(event)
def generateQELineScript(self):
self.stateMachine.run()
if not self.stateMachine.currentState.name in ['Raw','Converted']:
_GUItools.dialog(text='It is not possible to generate a script without any data loaded.')
return False
folder = self.getCurrentDirectory()
saveFile = QtWidgets.QFileDialog.getSaveFileName(self, 'Save File',folder,"Python (*.py)")[0]
if len(saveFile)==0:
return False
if path.splitext(saveFile)[1] !='.py':
saveFile = path.splitext(saveFile)[0]+'.py'
ds = self.DataSetModel.getCurrentDataSet()
dataSetName = ds.name.replace(' ','_')
dataFiles = [df.original_file.fileLocation if hasattr(df,'original_file') else df.fileLocation for df in ds]
if not ds.background is None: # Dealing with a subracted dataset
convertBeforeSubtract = ds.convertBeforeSubtract
backgroundFiles = ds.background
else:
convertBeforeSubtract = None
backgroundFiles = None
binning = self.ui.DataSet_binning_comboBox.currentText()
HStart = self.ui.QELine_HStart_lineEdit.text()
KStart = self.ui.QELine_KStart_lineEdit.text()
LStart = self.ui.QELine_LStart_lineEdit.text()
HEnd = self.ui.QELine_HEnd_lineEdit.text()
KEnd = self.ui.QELine_KEnd_lineEdit.text()
LEnd = self.ui.QELine_LEnd_lineEdit.text()
width = self.ui.QELine_Width_lineEdit.text()
minPixel = self.ui.QELine_MinPixel_lineEdit.text()
EMin = self.ui.QELine_EMin_lineEdit.text()
EMax = self.ui.QELine_EMax_lineEdit.text()
NPoints = self.ui.QELine_NPoints_lineEdit.text()
constantBins = self.ui.QELine_ConstantBins_checkBox.isChecked()
CAxisMin = self.ui.QELine_CAxisMin_lineEdit.text()
CAxisMax = self.ui.QELine_CAxisMax_lineEdit.text()
log = self.ui.QELine_LogScale_checkBox.isChecked()
grid = self.ui.QELine_Grid_checkBox.isChecked()
title = self.ui.QELine_SetTitle_lineEdit.text()
RLU = self.ui.QELine_SelectUnits_RLU_radioButton.isChecked()
generatePlotQELineScript(saveFile=saveFile,dataSetName=dataSetName,dataFiles=dataFiles,binning = binning,
HStart=HStart, KStart=KStart, LStart = LStart, HEnd=HEnd, KEnd=KEnd, LEnd=LEnd,
width=width, minPixel=minPixel, EMin = EMin, EMax=EMax, NPoints=NPoints, RLU=RLU,
CAxisMin = CAxisMin, CAxisMax = CAxisMax, log=log, grid=grid, title=title, constantBins=constantBins,
convertBeforeSubtract=convertBeforeSubtract,backgroundFiles=backgroundFiles)
return True
def generate3DScript(self):
# Check if data has been loaded. Abort if not
self.stateMachine.run()
if not self.stateMachine.currentState.name in ['Raw','Converted']:
_GUItools.dialog(text='It is not possible to generate a script without any data loaded.')
return False
# Save the created script
folder = self.getCurrentDirectory()
saveFile = QtWidgets.QFileDialog.getSaveFileName(self, 'Save File',folder,"Python (*.py)")[0]
if len(saveFile)==0:
return False
if path.splitext(saveFile)[1] !='.py':
saveFile = path.splitext(saveFile)[0]+'.py'
# Start loading information from the GUI
ds = self.DataSetModel.getCurrentDataSet()
dataSetName = ds.name.replace(' ','_')
dataFiles = [df.original_file.fileLocation if hasattr(df,'original_file') else df.fileLocation for df in ds]
if not ds.background is None: # Dealing with a subracted dataset
convertBeforeSubtract = ds.convertBeforeSubtract
backgroundFiles = ds.background
else:
convertBeforeSubtract = None
backgroundFiles = None
binning = self.ui.DataSet_binning_comboBox.currentText()
qx = self.ui.View3D_QXBin_lineEdit.text()
qy = self.ui.View3D_QYBin_lineEdit.text()
E = self.ui.View3D_EBin_lineEdit.text()
CAxisMin = self.ui.View3D_CAxisMin_lineEdit.text()
CAxisMax = self.ui.View3D_CAxisMax_lineEdit.text()
customViewer = self.ui.View3D_Mode_Custom_radioButton.isChecked()
log = self.ui.View3D_LogScale_checkBox.isChecked()
grid = self.ui.View3D_Grid_checkBox.isChecked()
counts = self.ui.View3D_RawCounts_checkBox.isChecked()
title = self.ui.View3D_SetTitle_lineEdit.text()
RLU = self.ui.View3D_SelectUnits_RLU_radioButton.isChecked()
radioState = [self.ui.View3D_SelectView_QxE_radioButton.isChecked(),
self.ui.View3D_SelectView_QyE_radioButton.isChecked(),self.ui.View3D_SelectView_QxQy_radioButton.isChecked()]
selectView = np.arange(3)[radioState]
selectView = selectView[0]
# And generate the script
generateViewer3DScript(saveFile=saveFile,dataFiles=dataFiles,dataSetName=dataSetName, binning=binning, qx=qx, qy=qy, E=E,
RLU=RLU, CAxisMin=CAxisMin, CAxisMax=CAxisMax, log=log, grid=grid,
title=title, selectView=selectView,customViewer=customViewer,counts=counts,convertBeforeSubtract=convertBeforeSubtract,
backgroundFiles=backgroundFiles)
return True
def generateQPlaneScript(self):
self.stateMachine.run()
if not self.stateMachine.currentState.name in ['Raw','Converted']:
_GUItools.dialog(text='It is not possible to generate a script without any data loaded.')
return False
folder = self.getCurrentDirectory()
saveFile = QtWidgets.QFileDialog.getSaveFileName(self, 'Save File',folder,"Python (*.py)")[0]
if len(saveFile)==0:
return False
if path.splitext(saveFile)[1] !='.py':
saveFile = path.splitext(saveFile)[0]+'.py'
ds = self.DataSetModel.getCurrentDataSet()
dataSetName = ds.name.replace(' ','_')
dataFiles = [df.original_file.fileLocation if hasattr(df,'original_file') else df.fileLocation for df in ds]
if not ds.background is None: # Dealing with a subracted dataset
convertBeforeSubtract = ds.convertBeforeSubtract
backgroundFiles = ds.background
else:
convertBeforeSubtract = None
backgroundFiles = None
binning = self.ui.DataSet_binning_comboBox.currentText()
EMin = self.ui.QPlane_EMin_lineEdit.text()
EMax = self.ui.QPlane_EMax_lineEdit.text()
xBinTolerance = self.ui.QPlane_xBinTolerance_lineEdit.text()
yBinTolerance = self.ui.QPlane_yBinTolerance_lineEdit.text()
CAxisMin = self.ui.QPlane_CAxisMin_lineEdit.text()
CAxisMax = self.ui.QPlane_CAxisMax_lineEdit.text()
log = self.ui.QPlane_LogScale_checkBox.isChecked()
grid = self.ui.QPlane_Grid_checkBox.isChecked()
title = self.ui.QPlane_SetTitle_lineEdit.text()
RLU = self.ui.QPlane_SelectUnits_RLU_radioButton.isChecked()
generatePlotQPlaneScript(saveFile,dataSetName,dataFiles,binning = binning,
xBinTolerance=xBinTolerance, yBinTolerance=yBinTolerance,
EMin = EMin,EMax=EMax, RLU=RLU,
CAxisMin = CAxisMin, CAxisMax = CAxisMax, log=log, grid=grid, title=title,
convertBeforeSubtract=convertBeforeSubtract,backgroundFiles=backgroundFiles)
return True
def checker(q1, q2, width, minPixel, EMax, EMin, cutQ):
"""Checker for 1DCuts. Returns False is an error is detected."""
success = True
if EMax < EMin:
_GUItools.dialog(
text='1D Cut could not be made. EMax ({}) < EMin ({})!'.format(
EMax, EMin))
success = False
if width < 0:
_GUItools.dialog(
text='1D Cut could not be made. Q width ({}) is negative!'.format(
width))
success = False
if minPixel < 0:
_GUItools.dialog(
text='1D Cut could not be made. Min Pixel ({}) is negative!'.
format(minPixel))
success = False
if not cutQ: # Cut along E
if not np.all(np.isclose(q1, q2)):
_GUItools.dialog(
text=
'1D Cut could not be made. Start ({}) is not equal to End ({}) is negative!'
.format(q1, q2))
success = False
return success
def generateCut1DScript(self):
self.stateMachine.run()
if not self.stateMachine.currentState.name in ['Raw','Converted']:
_GUItools.dialog(text='It is not possible to generate a script without any data loaded.')
return False
if self.Cut1DModel.rowCount() == 0:
_GUItools.dialog(text='It is not possible to generate a script without any cuts performed. Please make a cut using the "Generate 1D cut" or Plot 1D cut" buttons.')
return False
folder = self.getCurrentDirectory()
saveFile = QtWidgets.QFileDialog.getSaveFileName(self, 'Save File',folder,"Python (*.py)")[0]
if len(saveFile)==0:
return False
if path.splitext(saveFile)[1] !='.py':
saveFile = path.splitext(saveFile)[0]+'.py'
ds = self.DataSetModel.getCurrentDataSet()
dataSetName = ds.name
dataFiles = [df.original_file.fileLocation if hasattr(df,'original_file') else df.fileLocation for df in ds]
binning = self.ui.DataSet_binning_comboBox.currentText()
saveString = []
saveString.append(startString())
saveString.append('\n\n')
saveString.append(loadDataSet(dataSetName=dataSetName,DataFiles=dataFiles))
saveString.append(binDataSet(dataSetName=dataSetName,binning=binning))
if self.Cut1DModel.rowCount() == 1:
cut = self.Cut1DModel.dataCuts1D[0]
saveString.append(plotCut1DTextSingle(dataSetName,cut))
else:
for cut in self.Cut1DModel.dataCuts1D:
method = cut.method
params = {}
for param in cut.parameters:
if param == 'method':
continue
val = getattr(cut,param)
if isinstance(val,(list,np.ndarray)):
val = '['+','.join([str(x) for x in val])+']'
params[param] = val
name = cut.name.replace(' ','_').replace('.','_').replace(',','_')
if method.find('plot')>-1:
returnValues = ','.join([name+'_'+x for x in ['ax','data','bins']])
else:
returnValues = ','.join([name+'_'+x for x in ['data','bins']])
line = returnValues+' = '+dataSetName+'.'+method+'('
line += ', '.join([param+' = ' + str(value) for param,value in params.items()])+')\n'
saveString.append(line)
saveString.append('\n\n#If a ufit object is needed, add "ufit=True" to the above method calls and change "_data" and "_bins" to "_ufit".')
with open(saveFile,'w') as file:
file.write(''.join(saveString))
return True
def QELine_plot_button_function(self):
# First check if we have data, otherwise convert data
if not self.stateMachine.requireStateByName('Converted'):
return False
ds = self.DataSetModel.getCurrentDataSet()
if len(ds.convertedFiles) == 0:
self.DataSet_convertData_button_function()
# Get the Q points
HStart = float(self.ui.QELine_HStart_lineEdit.text())
KStart = float(self.ui.QELine_KStart_lineEdit.text())
LStart = float(self.ui.QELine_LStart_lineEdit.text())
HEnd = float(self.ui.QELine_HEnd_lineEdit.text())
KEnd = float(self.ui.QELine_KEnd_lineEdit.text())
LEnd = float(self.ui.QELine_LEnd_lineEdit.text())
if self.ui.QELine_SelectUnits_RLU_radioButton.isChecked():
rlu = True
Q1 = np.array([HStart, KStart, LStart])
Q2 = np.array([HEnd, KEnd, LEnd])
else:
rlu = False
Q1 = np.array([HStart, KStart])
Q2 = np.array([HEnd, KEnd])
# Collect them into one array
QPoints = np.array([Q1, Q2])
# Define orthogonal width and minimum pixel size along Q-cut
width = float(self.ui.QELine_Width_lineEdit.text())
minPixel = float(self.ui.QELine_MinPixel_lineEdit.text())
# Define energy bins
EMin = float(self.ui.QELine_EMin_lineEdit.text())
EMax = float(self.ui.QELine_EMax_lineEdit.text())
NPoints = int(self.ui.QELine_NPoints_lineEdit.text())
EnergyBins = np.linspace(EMin, EMax, NPoints)
# Check various plot settings
if self.ui.QELine_LogScale_checkBox.isChecked():
log = True
else:
log = False
if self.ui.QELine_ConstantBins_checkBox.isChecked():
constantBins = True
else:
constantBins = False
try:
# Make plot
ax,DataLists,Bins,BinCenters,Offsets = \
ds.plotCutQELine(QPoints=QPoints, width=width, \
minPixel=minPixel, EnergyBins=EnergyBins,\
rlu=rlu,log=log,constantBins=constantBins)
# Make some final changes to the plot
self.QELine = ax
fig = self.QELine.get_figure()
fig.set_size_inches(8, 6)
if self.ui.QELine_Grid_checkBox.isChecked():
ax.grid(True)
else:
ax.grid(False)
self.QELine_setCAxis_button_function()
self.windows.append(self.QELine.get_figure())
self.QELine_SetTitle_button_function()
return True
except:
_GUItools.dialog(
text=
'QELine cut could not be made. Check the limits for the cut and try again!'
)
return False