def test_self():
"""Tests combinations of multiple conditions against the same
keyword.
"""
k0 = ((K.Egap > 6) | (K.Egap < 21)) & (K.PV_cell < 13)
# multiple keywords by default do not combine
assert sorted(_expr_to_strings(k0).split(",")) == [
"(Egap(!*6):Egap(!21*))",
"PV_cell(!13*)",
]
# reset()
# k1 = ((K.Egap > 6) | (K.Egap < 21)) & ((K.PV_cell < 13) | (K.PV_cell > 2))
# assert str(k1) == "Egap(!*6:!21*),PV_cell(!13*:!*2)"
# assert str(K.Egap) == "Egap(!*6:!21*)"
# assert str(K.PV_cell) == "PV_cell(!13*:!*2)"
# reset()
k2 = ((K.Egap > 0) & (K.Egap < 2)) | ((K.Egap > 5) | (K.Egap < 7))
# Bracket for the other OR is omitted
assert _expr_to_strings(k2) == "Egap(!*5:!7*:(!*0,!2*))"
# reset()
k3 = ((K.Egap > 0) & (K.Egap < 2)) | (K.Egap == 5)
assert _expr_to_strings(k3) == "Egap(5:(!*0,!2*))"
# assert str(k2) ==
# reset()
# k4 = ((K.Egap >= 6) | (K.Egap <= 21)) & (K.PV_cell <= 13)
# assert str(k4) == "Egap(6*:*21),PV_cell(*13)"
# reset()
# k5 = ((K.Egap >= 6) | (K.Egap <= 21)) & ((K.PV_cell <= 13) | (K.PV_cell >= 2))
# assert str(k5) == "Egap(6*:*21),PV_cell(*13:2*)"
# assert str(K.Egap) == "Egap(6*:*21)"
# assert str(K.PV_cell) == "PV_cell(*13:2*)"
# reset()
k6 = ((K.Egap >= 0) & (K.Egap <= 2)) | ((K.Egap >= 5) & (K.Egap <= 7))
assert _expr_to_strings(k6) == "Egap((0*,*2):(5*,*7))"
# reset()
k7 = ((K.Egap >= 0) & (K.Egap <= 2)) | (K.Egap != 5)
assert _expr_to_strings(k7) == "Egap(!5:(0*,*2))"
def test_invert():
from sympy import simplify_logic
k0 = (K.Egap > 6) & (K.PV_cell < 13)
kn0 = ~k0
# The not simplifies version
assert _expr_to_strings(kn0) == "!(Egap(!*6),PV_cell(!13*))"
kn0 = simplify_logic(kn0)
strings = _expr_to_strings(kn0)
assert ":" in strings
for itm in strings.split(":"):
assert "!" not in itm
# reset()
k1 = (K.Egap >= 6) & (K.PV_cell <= 13)
kn1 = simplify_logic(~k1)
strings = _expr_to_strings(kn1)
assert ":" in strings
for itm in strings.split(":"):
assert "!" in itm
def test_type():
# in some cased 1 is treated as sympy.One
assert _expr_to_strings(K.Egap > 1)
# float version
assert _expr_to_strings(K.Egap > 1.0)
# multiple variables
assert _expr_to_strings((K.Egap > 1.0) & (K.Egap < 2.0))
# Following expression will raise TypeError
with pytest.raises(TypeError):
_expr_to_strings(K.Egap)
with pytest.raises(TypeError):
_expr_to_strings("Egap(1*)")
def filter(self, keyword):
"""Adds a search term to the current filter list. Calling :meth:`filter`
multiple times will join the final filters together using logical *and*.
Args:
keyword (aflow.keywords.Keyword): that encapsulates the AFLUX
request language logic.
New version: allowing keyword as a single string containing filters
"""
if self._final_check():
self._N = None
if isinstance(keyword, str): # normal string
if _check_input(keyword):
self.filters.append(keyword)
elif hasattr(keyword, "func"): # Is a sympy symbol
expr = _expr_to_strings(keyword)
self.filters.append(expr)
else:
msg.err(("Query.filter() takes either "
"boolean expression or string,"
f" not {type(keyword)}"))
return self
def test_operators():
"""Test operators. All tests in this function are 1 variable"""
# and
k0 = (K.nspecies >= 2) & (K.nspecies <= 4)
assert _expr_to_strings(k0) == "nspecies(2*,*4)"
k1 = (K.Egap >= 6) & (K.PV_cell <= 13)
assert _expr_to_strings(k1) == "Egap(6*),PV_cell(*13)"
k2 = (K.Egap == 6) & (K.PV_cell == 13)
assert _expr_to_strings(k2) == "Egap(6),PV_cell(13)"
k3 = (K.Egap == 6) & (K.PV_cell != 13)
assert _expr_to_strings(k3) == "Egap(6),PV_cell(!13)"
k4 = (K.data_source == "aflowlib") | (K.species % "Si")
assert _expr_to_strings(k4) == "data_source('aflowlib'):species(*'Si'*)"
k5 = (K.data_source > "aflow") & (K.species < "Ag")
assert _expr_to_strings(k5) == "data_source(!*'aflow'),species(!'Ag'*)"