def combineClusters(self,startwert='',node='Cluster'):
#combine clusters
#create lists for cartesian product
if self.clusterTree.baum.get_children(node) == ():
#am Ende eines Astes
#print(startwert)
elements, charge = ITFClusterLib.parseFormula(startwert)
#print(elements)
oneString = ITFClusterLib.oneString(elements, charge)
#print(oneString)
if oneString in self.combinedClusters.keys():
print('Cluster already in list')
else:
#create cluster
knoten = self.nodes[node]
temp = knoten.createClusters(elements)
#multiply charged ions: divide masses by charge
temp[:,0] = temp[:,0]/float(charge)
self.combinedClusters[oneString] = temp
# speichern in IFC
self.dataIFC.addDist(temp,oneString)
return
for child in self.clusterTree.baum.get_children(node):
knoten = self.nodes[child]
if node == 'Cluster': #äusserster Knoten
temp = self.clusterTree.baum.item(child,'text')
temp = temp.split('{')
startwert = temp[3].strip('}')
for j in knoten.elements:
#print(j)
if j > 1:
self.combineClusters(startwert+'['+
knoten.sumFormula+']'+str(j),child)
elif j == 1:
self.combineClusters(startwert+'['+knoten.sumFormula+']',child)
else:
self.combineClusters(startwert,child)
