def identify(self):
idx=self.acTree.selectedIndexes()[0]
if not idx.isValid():
print "Error, index is not valid"
return
p = idx.parent()
if p.data().toString() in ("fragments/adducts:","isotopic cluster:"):
p = idx.parent().parent().parent()
sample=self.currentSample[1 if self.acTree is self.view.treeView_2 else 2]#self.model.sample(p.data().toString(), fullNameEntry=False)
if sample is None:
print "Error, sample not found %s"%sample.shortName()
return
#data=None
if len(idx.data().toString().split('/')) > 2:
data=idx.data().toString().split('/')[:-1]
else:
data=idx.data().toString().split('/')
peak=sample.peakAt(*map(float, data))
if peak is None:
self.view.showErrorMessage("Error", "Unable to find the corresponding peak...")
spl=MSSampleList()
s=MSSample("None")
s.rawPeaks=MSPeakList([peak], sample=s)
spl.addSample(s)
dial=MSIdentificationDialog(parent=self.view)
dial.setAttribute(Qt.WA_DeleteOnClose)
controller=MSIdentificationController(spl, dial, False, showDirectResult=True)
def merge(filenames):
sampleList = MSSampleList(kind='MRM')
n = [s.split('-')[-1].split('.')[0][1:] for s in filenames]
print n
for f in filenames:
s = MSSample(os.path.normcase(f), kind='MRM')
s.loadMZXMLData()
sampleList.append(s)
mergedSampleName = "-".join(n) + ".mzXML"
createMergedXml(mergedSampleName, sampleList)
def merge(filenames):
sampleList = MSSampleList(kind='MRM')
n = [s.split('-')[-1].split('.')[0][1:] for s in filenames]
print n
for f in filenames:
s = MSSample(os.path.normcase(f), kind='MRM')
s.loadMZXMLData()
sampleList.append(s)
mergedSampleName = "-".join(n)+".mzXML"
createMergedXml(mergedSampleName, sampleList)
def identify(self):
idx = self.acTree.selectedIndexes()[0]
if not idx.isValid():
print "Error, index is not valid"
return
p = idx.parent()
if p.data().toString() in ("fragments/adducts:", "isotopic cluster:"):
p = idx.parent().parent().parent()
sample = self.currentSample[
1 if self.acTree is self.view.treeView_2 else
2] #self.model.sample(p.data().toString(), fullNameEntry=False)
if sample is None:
print "Error, sample not found %s" % sample.shortName()
return
#data=None
if len(idx.data().toString().split('/')) > 2:
data = idx.data().toString().split('/')[:-1]
else:
data = idx.data().toString().split('/')
peak = sample.peakAt(*map(float, data))
if peak is None:
self.view.showErrorMessage(
"Error", "Unable to find the corresponding peak...")
spl = MSSampleList()
s = MSSample("None")
s.rawPeaks = MSPeakList([peak], sample=s)
spl.addSample(s)
dial = MSIdentificationDialog(parent=self.view)
dial.setAttribute(Qt.WA_DeleteOnClose)
controller = MSIdentificationController(spl,
dial,
False,
showDirectResult=True)