message: fixed wrongly configured regtests for rematch_kernel
diff: @@ -14,7 +14,7 @@ class RematchKernelTests(unittest.TestCase):
  once different, once identical.
  Also tests the global similarity computed from the unity
  environment kernel"""
  - desc = SOAP("unnecessary input argument", 10.0, 2, 0, periodic=False,crossover=True)
  + desc = SOAP([1,8], 10.0, 2, 0, periodic=False,crossover=True)
  re = RematchKernel()
  A = molecule('H2O')
  B = molecule('H2O2')
  @@ -36,7 +36,7 @@ class RematchKernelTests(unittest.TestCase):
  def test_glosim_molecules(self):
  is_pass = True
  # check if the same molecules give global similarity of around 1
  - desc = SOAP("unnecessary input argument", 10.0, 2, 0, periodic=False,crossover=True)
  + desc = SOAP([], 10.0, 2, 0, periodic=False,crossover=True)
  for molname in g2.names:
  atoms = molecule(molname)
  local_a = desc.create(atoms)
  @@ -50,7 +50,7 @@ class RematchKernelTests(unittest.TestCase):
  is_pass = False
  all_atomtypes = [1,6,7,8]
  - desc = SOAP("unnecessary input argument", 10.0, 2, 0, periodic=False,crossover=True, all_atomtypes=all_atomtypes)
  + desc = SOAP([1,6,7,8], 10.0, 2, 0, periodic=False,crossover=True)
  # check randomly a few combinations of molecules, just for no errors
  for molname1 in g2.names:
  for molname2 in g2.names:
  @@ -72,7 +72,7 @@ class RematchKernelTests(unittest.TestCase):
  def test_global_kernel(self):
  """Tests the global rematch kernel"""
  print("Start testing global kernel")
  - desc = SOAP("unnecessary input argument", 10.0, 2, 0, periodic=False,crossover=True)
  + desc = SOAP([1,6,7,8], 10.0, 2, 0, periodic=False,crossover=True)
  re = RematchKernel()
  A = molecule('CH3CHO')
  B = molecule('HCOOH')
  