def setPeakIntensity(self):
# PeakIntensity attributes (only set if they were reported in the file)
if self.rawPeak.intensity != None and (self.rawPeak.intensity
or not self.rawPeak.volume):
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.intensity,
method=self.methods[self.format]['Intensity (data)'])
peakInt.intensityType = height_kw
if self.rawPeak.intensityFit != None:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.intensityFit,
method=self.methods[self.format]['Intensity (fitted)'])
peakInt.intensityType = height_kw
if self.rawPeak.volume != None and (self.rawPeak.volume
or not self.rawPeak.intensity):
methodKey = "Volume (%s)" % self.rawPeak.volumeMethod
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.volume,
method=self.methods[self.format][methodKey])
peakInt.intensityType = volume_kw
def setPeakIntensity(self):
# PeakIntensity attributes
if self.rawPeak.intensity != 0:
peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.intensity, method = self.methods[self.format]['Intensity'])
# Assuming always intensity for pronto
peakInt.intensityType = height_kw
def setPeakIntensity(self):
# PeakIntensity attributes
# Intensity and volume are always set for an nmrView peak
if self.rawPeak.volume != 0:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.volume,
method=self.methods[self.format]['Volume'])
peakInt.intensityType = volume_kw
if self.rawPeak.intensity != 0:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.intensity,
method=self.methods[self.format]['Intensity'])
peakInt.intensityType = height_kw
def setPeakIntensity(self):
# PeakIntensity attributes
if self.rawPeak.intensity != 0:
# Software method not known: could come from anywhere
peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.intensity, method = self.methods['unknown']['Intensity'])
# Assuming height for autoassign
peakInt.intensityType = height_kw
def setPeakIntensity(self):
# PeakIntensity attributes
if self.rawPeak.volume != 0:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.volume,
method=self.methods[self.format]['Volume'])
# Assuming always volume for ansig
peakInt.intensityType = volume_kw
def setPeakIntensity(self):
self.intMethod = self.peakFile.translateIntMethod(self.format,self.rawPeak.intCode)
if self.intMethod != 'Not integrated':
if self.forceHeight:
# PeakIntensity attributes
peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.volume, method = self.methods['unknown']['Intensity'])
intensityType = height_kw
else:
# PeakIntensity attributes
# Assuming that always volume for xeasy (all integration)
peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.volume, method = self.methods[self.format][self.intMethod])
intensityType = volume_kw
peakInt.error = self.rawPeak.volumeError
peakInt.intensityType = intensityType
def setPeakIntensity(self):
#
# PeakIntensity attributes
#
if self.rawPeak.intensity != 0:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.intensity,
error=self.rawPeak.intensityError,
method=self.methods[self.format]['Intensity'])
peakInt.intensityType = height_kw
if self.rawPeak.volume != 0:
peakInt = Nmr.PeakIntensity(
self.peak,
value=self.rawPeak.volume,
method=self.methods[self.format]['Volume'])
peakInt.intensityType = volume_kw