class ElementalCompositionVisit:
def __init__(self,comp):
self.table = comp
self.eltcomp = Composition()
def visit(self,m):
self.eltcomp.add(m.composition(self.table))
def visit(self,m):
if self.comp:
eltcomp = m.composition(self.comp)
for c in m.children():
eltcomp.add(c._elemental_composition)
m._elemental_composition = eltcomp
if self.sym:
symcomp = Composition()
symcomp[self.sym.toStr(m)] = 1
for c in m.children():
symcomp.add(c._symbol_composition)
m._symbol_composition = symcomp
def elemental_composition(self,comp_table):
eltcomp = Composition()
for m in self.all_nodes(undet_subst=True):
ec = m.composition(comp_table)
eltcomp.add(ec)
return eltcomp