if __package__:
from .init_tests import TestCase, patch_package
else:
from init_tests import TestCase, patch_package
__package__, __name__ = patch_package(__package__, __name__)
from ..potentials import Potential
import os
[docs]class Test2DPotential(TestCase):
[docs] def test(self):
p=Potential.from_file(os.path.join(os.path.dirname(__file__),'..','examples', 'GeTe.pot'))
atoms = p.atoms
self.assertEqual(str(atoms.symbols), "GeXTeX"*8+"GeXTeX13")
self.assertEqual(len(atoms.regions['left']), 4)
self.assertEqual(len(atoms.regions['right']), 4)
pf = p.to_string()
p2=Potential.from_string(pf)
a2 = p2.atoms
self.assertEqual(atoms.cell, a2.cell)
self.assertEqual(atoms.regions['left'].cell, a2.regions['left'].cell)
self.assertEqual(len(atoms.regions['left']), len(a2.regions['left']))
self.assertEqual(atoms.regions['right'].cell, a2.regions['right'].cell)
self.assertEqual(len(atoms.regions['right']), len(a2.regions['right']))
self.assertEqual(atoms.positions, a2.positions)
self.assertEqual(str(atoms.symbols), str(a2.symbols))