message: Added exception test for periodic analytical derivatives.
diff: @@ -105,6 +105,20 @@ class SoapDerivativeTests(unittest.TestCase):
  soap_poly.derivatives(H2, positions=positions, method="analytical")
  soap_poly.derivatives(H2, positions=positions, method="numerical")
  + # Test that trying to get analytical derivatives with periodicicity on
  + # raises an exception
  + soap_poly = SOAP(
  + species=[1, 8],
  + rcut=3,
  + nmax=2,
  + lmax=0,
  + rbf="gto",
  + sparse=False,
  + periodic=True
  + )
  + with self.assertRaises(ValueError):
  + soap_poly.derivatives(H2, positions=positions, method="analytical")
  +
  # Test include
  with self.assertRaises(ValueError):
  soap.derivatives(H2O, positions=positions, include=[])
  @@ -467,7 +481,8 @@ class SoapDerivativeComparisonTests(unittest.TestCase):
  if __name__ == '__main__':
  - # SoapDerivativeComparisonTests().test_combinations()
  + # SoapDerivativeComparisonTests().tinterface()
  + # SoapDerivativeTests().test_interface()
  # SoapDerivativeTests().test_numerical()
  # SoapDerivativeTests().test_periodic()
  suites = []
  