示例#1
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    def test_serialization(self):
        rep = SortedCoulombMatrix(**self.hypers)

        rep_dict = to_dict(rep)

        rep_copy = from_dict(rep_dict)

        rep_copy_dict = to_dict(rep_copy)

        self.assertTrue(rep_dict == rep_copy_dict)
示例#2
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    def test_serialization(self):
        rep = SphericalExpansion(**self.hypers)

        rep_dict = to_dict(rep)

        rep_copy = from_dict(rep_dict)

        rep_copy_dict = to_dict(rep_copy)

        self.assertTrue(rep_dict == rep_copy_dict)
示例#3
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    def test_serialization(self):
        rep = SphericalInvariants(**self.hypers)

        for target_type in ["Atom", "Structure"]:
            cosine_kernel = Kernel(rep, name="Cosine", target_type=target_type, zeta=2)

            cosine_kernel_dict = to_dict(cosine_kernel)
            cosine_kernel_copy = from_dict(cosine_kernel_dict)
            cosine_kernel_copy_dict = to_dict(cosine_kernel_copy)

            self.assertTrue(cosine_kernel_dict == cosine_kernel_copy_dict)