Esempi in Python per BalancedReaction.from_string

Esempio n. 1

File: test_reaction_calculator.py Progetto: rousseab/pymatgen

    def test_from_string(self):
        rxn = BalancedReaction({Composition("Li"): 4, Composition("O2"): 1}, {Composition("Li2O"): 2})
        self.assertEqual(rxn, BalancedReaction.from_string("4 Li + O2 -> 2Li2O"))

        rxn = BalancedReaction(
            {Composition("Li(NiO2)3"): 1}, {Composition("O2"): 0.5, Composition("Li(NiO2)2"): 1, Composition("NiO"): 1}
        )

        self.assertEqual(rxn, BalancedReaction.from_string("1.000 Li(NiO2)3 -> 0.500 O2 + 1.000 Li(NiO2)2 + 1.000 NiO"))

Esempio n. 2

File: test_reaction_calculator.py Progetto: zacharygibbs/pymatgen

 def test_from_string(self):
     rxn = BalancedReaction({
         Composition("Li"): 4,
         Composition("O2"): 1
     }, {Composition("Li2O"): 2})
     self.assertEqual(rxn,
                      BalancedReaction.from_string("4 Li + O2 -> 2Li2O"))

Esempio n. 3

    def test_from_string(self):
        rxn = BalancedReaction({Composition("Li"): 4, Composition("O2"): 1}, {Composition("Li2O"): 2})
        self.assertEqual(rxn, BalancedReaction.from_string("4 Li + O2 -> 2Li2O"))

        rxn = BalancedReaction(
            {Composition("Li(NiO2)3"): 1},
            {
                Composition("O2"): 0.5,
                Composition("Li(NiO2)2"): 1,
                Composition("NiO"): 1,
            },
        )

        self.assertEqual(
            rxn,
            BalancedReaction.from_string("1.000 Li(NiO2)3 -> 0.500 O2 + 1.000 Li(NiO2)2 + 1.000 NiO"),
        )

Esempio n. 4

File: test_reaction_calculator.py Progetto: antoinedewandre/pymatgen

 def test_from_string(self):
     rxn = BalancedReaction({Composition("Li"): 4, Composition("O2"): 1},
                            {Composition("Li2O"): 2})
     self.assertEqual(rxn,
                      BalancedReaction.from_string("4 Li + O2 -> 2Li2O"))