def test_material2Tags_Alloys(self):
target = Material2Tags()
taxonomy = target.get_classes("SrFeCu0.2")
assert len(taxonomy.keys()) == 1
assert list(taxonomy.keys())[0] == 'Alloys'
assert len(taxonomy['Alloys']) == 0
def test_material2Tags_Oxide(self):
target = Material2Tags()
taxonomy = target.get_classes("LaFeO2")
assert len(taxonomy.keys()) == 1
assert list(taxonomy.keys())[0] == 'Oxides'
assert len(taxonomy['Oxides']) == 1
assert taxonomy['Oxides'][0] == 'Transition Metal-Oxides'
def test_material2Tags_mixedCombinations(self):
target = Material2Tags()
taxonomy = target.get_classes("CsFe2As2")
assert len(taxonomy.keys()) == 2
first_level = sorted(list(taxonomy.keys()))
assert first_level[0] == 'Iron-pnictides'
assert first_level[1] == 'Pnictides'
assert len(taxonomy['Iron-pnictides']) == 0
assert len(taxonomy['Pnictides']) == 0
def test_material2Tags_mixedCombinations_0(self):
target = Material2Tags()
taxonomy = target.get_classes("CuFrO2")
assert len(taxonomy.keys()) == 2
first_level = sorted(list(taxonomy.keys()))
assert first_level[0] == 'Cuprates'
assert first_level[1] == 'Oxides'
assert len(taxonomy['Oxides']) == 1
assert len(taxonomy['Cuprates']) == 0
class MaterialParserWrapper:
# mp = MaterialParser()
material2class = Material2Class()
material2tags = Material2Tags()
# def formula_to_composition(self, formula):
# composition = self.mp.formula2composition(formula)
#
# if 'elements' in composition:
# return composition
#
# else:
# return {}
#
def formula_to_class(self, formula):
return self.material2class.get_class(formula)
def formula_to_classes(self, formula):
return self.material2tags.get_classes(formula)