def test_repr():
""" Test representability. """
from numpy import all, array, abs
from pylada.gulp import Functional
functional = Functional()
b = {}; exec(repr(functional)) in b; b = b['functional']
assert not b.morse.enabled
assert not b.opti
assert not b.conv
assert not b.conp
assert not b.isotropic
assert not b.cellonly
assert not b.buckingham.enabled
assert len(b.morse) == 0
assert len(b.buckingham) == 0
functional.morse['Ti', 'O'] = [1.0279493, 3.640737, 1.88265, 0, 25]
functional.morse['Ti', 'Ti'] = [0.00567139, 1.5543, 4.18784, 0, 25]
functional.morse['O', 'O'] = [0.00567139, 1.5543, 4.18784, 0, 25]
b = {}; exec(repr(functional)) in b; b = b['functional']
assert not b.morse.enabled
assert not b.opti
assert not b.conv
assert not b.conp
assert not b.isotropic
assert not b.cellonly
assert len(b.morse) == 3
assert not b.buckingham.enabled
assert len(b.buckingham) == 0
assert all(abs(array( functional.morse['Ti', 'O'])
- [1.0279493, 3.640737, 1.88265, 0, 25] ) < 1e-4)
assert all(abs(array( functional.morse['Ti', 'Ti'])
- [0.00567139, 1.5543, 4.18784, 0, 25] ) < 1e-4)
assert all(abs(array( functional.morse['O', 'O'])
- [0.00567139, 1.5543, 4.18784, 0, 25] ) < 1e-4)
functional.morse.enabled = True
functional.opti = True
functional.cellonly = True
b = {}; exec(repr(functional)) in b; b = b['functional']
assert b.morse.enabled
assert b.opti
assert not b.conv
assert not b.conp
assert not b.isotropic
assert not b.buckingham.enabled
assert len(b.buckingham) == 0
assert b.cellonly
assert len(b.morse) == 3
assert all(abs(array( functional.morse['Ti', 'O'])
- [1.0279493, 3.640737, 1.88265, 0, 25] ) < 1e-4)
assert all(abs(array( functional.morse['Ti', 'Ti'])
- [0.00567139, 1.5543, 4.18784, 0, 25] ) < 1e-4)
assert all(abs(array( functional.morse['O', 'O'])
- [0.00567139, 1.5543, 4.18784, 0, 25] ) < 1e-4)
