def __init__(self, parent):
'''Initialize the controller class'''
super(Controller, self).__init__(parent)
self.rate = Rate(self)
self.numpeaks = NumPeaks(self)
self.exchange = ExchangeModel(self)
self.peak = PeakModel(self)
self.scale = Scale(self)
self._makeConnections()
self.oldParams = None
self.newParams = None
self.rateParams = None
self.exchangeParams = None
self.limits = None
self.hasPlot = False
class Controller(QObject):
'''Class to hold all information about the function'''
def __init__(self, parent):
'''Initialize the controller class'''
super(Controller, self).__init__(parent)
self.rate = Rate(self)
self.numpeaks = NumPeaks(self)
self.exchange = ExchangeModel(self)
self.peak = PeakModel(self)
self.scale = Scale(self)
self._makeConnections()
self.oldParams = None
self.newParams = None
self.rateParams = None
self.exchangeParams = None
self.limits = None
self.hasPlot = False
def _makeConnections(self):
'''Connect the contained widgets'''
# When the number of peaks changes, change the matrix size
self.numpeaks.numberOfPeaksChanged.connect(self.changeNumberOfPeaks)
# When the number of peaks changes, also change the number of tab pages
self.numpeaks.numberOfPeaksChanged.connect(self.peak.changePeakNum)
# When any of the values are updated, re-plot
self.rate.rateChanged.connect(self.setDataForPlot)
self.exchange.matrixChanged.connect(self.setDataForPlot)
self.peak.inputParamsChanged.connect(self.setDataForPlot)
# Change the plot scale
self.scale.scaleChanged.connect(self.changeScale)
def getParametersForScript(self):
'''Return the parameters in a format to make a script file'''
xlim = self.limits[0], self.limits[1]
reverse = self.limits[2]
return xlim, reverse, self.oldParams, self.newParams
def getParametersForInput(self):
'''Return the parameters in a format to make an input file'''
rate = self.rate.getParams()
exchange = self.exchange.getParams(self.numpeaks.getNumPeaks())
xlim = self.limits[0], self.limits[1]
reverse = self.limits[2]
return xlim, reverse, rate, exchange, self.oldParams
#######
# SLOTS
#######
def changeNumberOfPeaks(self):
'''Apply a change in the number of peaks'''
self.exchange.resizeMatrix(self.numpeaks.numPeaks)
def setDataForPlot(self):
'''Assembles the data for plotting, calculates the spectrum, then emits'''
# Assemble values
omega = self.scale.getDomain()
npeaks = self.numpeaks.getNumPeaks()
k = self.rate.getConvertedRate()
Z = self.exchange.getMatrix()
self.oldParams = self.peak.getParams()
vib, GL, GG, h = self.oldParams
# Don's plot if there is some error
if k == 0 or k is None:
return
elif npeaks != len(vib) or isnan(sum(vib)):
return
elif npeaks != len(GL) or isnan(sum(GL)):
return
elif npeaks != len(GG) or isnan(sum(GG)):
return
elif npeaks != len(h) or isnan(sum(h)):
return
elif npeaks != len(Z):
return
elif len(omega) == 0:
return
else:
self.hasPlot = True
# Calculate spectrum
I, self.newParams = spectrum(Z, k, vib, GL, GG, h, omega)
# Send spectrum to plotter and new parameters to peak
self.plotSpectrum.emit(omega, I)
self.peak.setNewParams(*self.newParams)
# Store data for later
self.rateParams = self.rate.getParams()
self.exchangeParams = self.exchange.getParams(npeaks)
self.limits = self.scale.getScale()
def changeScale(self, recalculate):
'''Emit the new scale to use after re-plotting with new domain'''
if recalculate:
self.setDataForPlot()
min, max, rev = self.scale.getScale()
self.newXLimits.emit(min, max, rev)
#########
# SIGNALS
#########
# Plot the data
plotSpectrum = Signal(ndarray, ndarray)
# Change the scale
newXLimits = Signal(int, int, bool)