Source code for ase2sprkkr.bindings.tests.test_es_finder

import unittest
from ase.build import bulk

if __package__:
   from .init_tests import TestCase, patch_package
else:
   from init_tests import TestCase, patch_package
__package__, __name__ = patch_package(__package__, __name__)

from .. import es_finder   # NOQA: E402


[docs] class TestEsFinder(TestCase):
[docs] def test_es_finder(self): if not es_finder.is_enabled: raise unittest.SkipTest("ES finder cannot be imported, skipping the test") atoms = bulk('Co') self.assertEqual(0, len(es_finder.empty_spheres(atoms).positions)) atoms = bulk('NaCl', "rocksalt", a=5.64) out=es_finder.empty_spheres(atoms) self.assertEqual(12, len(out.positions))