Esempio n. 1
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 def test_from_dict(self):
     d = self.ethane.as_dict()
     json_str = json.dumps(d)
     decoded = ForceField.from_dict(json.loads(json_str))
     self.assertListEqual(decoded.mass_info, self.ethane.mass_info)
     self.assertListEqual(decoded.nonbond_coeffs, self.ethane.nonbond_coeffs)
     self.assertDictEqual(decoded.topo_coeffs, self.ethane.topo_coeffs)
Esempio n. 2
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 def test_from_dict(self):
     d = self.benzene.as_dict()
     json_str = json.dumps(d)
     decoded = ForceField.from_dict(json.loads(json_str))
     self.assertListEqual(decoded.mass_info, self.benzene.mass_info)
     self.assertListEqual(decoded.pair_coeffs, self.benzene.pair_coeffs)
     self.assertDictEqual(decoded.mol_coeffs, self.benzene.mol_coeffs)
Esempio n. 3
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 def test_from_dict(self):
     d = self.benzene.as_dict()
     json_str = json.dumps(d)
     decoded = ForceField.from_dict(json.loads(json_str))
     self.assertListEqual(decoded.mass_info, self.benzene.mass_info)
     self.assertListEqual(decoded.pair_coeffs, self.benzene.pair_coeffs)
     self.assertDictEqual(decoded.mol_coeffs, self.benzene.mol_coeffs)
Esempio n. 4
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 def test_from_dict(self):
     d = self.ethane.as_dict()
     json_str = json.dumps(d)
     decoded = ForceField.from_dict(json.loads(json_str))
     self.assertListEqual(decoded.mass_info, self.ethane.mass_info)
     self.assertListEqual(decoded.nonbond_coeffs,
                          self.ethane.nonbond_coeffs)
     self.assertDictEqual(decoded.topo_coeffs, self.ethane.topo_coeffs)