示例#1
0
    def test_unique_prototypes(self):
        O = OqmdInterface()
        p = O.get_distinct_prototypes(chemical_formula='NiCuCN',
                                      max_atoms=8)

        assert(len(p) == 19)
        print('{} distinct prototypes found'.format(len(p)))
示例#2
0
 def test_unique_prototypes2(self):
     O = OqmdInterface()
     p = O.get_distinct_prototypes(chemical_formula='TiO2')
     print(len(p))