def exercise():
from cctbx.web import change_basis
from libtbx.utils import Sorry
from libtbx.test_utils import Exception_expected
def check(string, expected):
rt = change_basis.p_from_string(string)
ex = change_basis.p_from_string(expected)
assert rt.r == ex.r
assert rt.t == ex.t
check("", "a,b,c")
check("a,b,c", "a,b,c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}", "a,b,c")
check("2, 0, 0, 0, 2, 0, 0, 0, 2", "2a,2b,2c")
check("{{1/2, 0, 0}, {0, 1/2, 0}, {0, 0, 1/2}}", "1/2a,1/2b,1/2c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}, 1/2, 1/3, 1/4",
"a+1/2,b+1/3,c+1/4")
check("(1 0 0 | 1/2) (0 1 0 | 1/3) (0 0 1 | 1/4)", "a+1/2,b+1/3,c+1/4")
check("1/2,1/3,1/4", "a+1/2,b+1/3,c+1/4")
try:
change_basis.p_from_string("0")
except Sorry, e:
assert str(e) == \
'Uninterpretable expression for change-of-basis matrix: "0"'
def exercise():
from cctbx.web import change_basis
from libtbx.utils import Sorry
from libtbx.test_utils import Exception_expected
def check(string, expected):
rt = change_basis.p_from_string(string)
ex = change_basis.p_from_string(expected)
assert rt.r == ex.r
assert rt.t == ex.t
check("", "a,b,c")
check("a,b,c", "a,b,c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}", "a,b,c")
check("2, 0, 0, 0, 2, 0, 0, 0, 2", "2a,2b,2c")
check("{{1/2, 0, 0}, {0, 1/2, 0}, {0, 0, 1/2}}", "1/2a,1/2b,1/2c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}, 1/2, 1/3, 1/4",
"a+1/2,b+1/3,c+1/4")
check("(1 0 0 | 1/2) (0 1 0 | 1/3) (0 0 1 | 1/4)", "a+1/2,b+1/3,c+1/4")
check("1/2,1/3,1/4", "a+1/2,b+1/3,c+1/4")
try:
change_basis.p_from_string("0")
except Sorry as e:
assert str(e) == \
'Uninterpretable expression for change-of-basis matrix'
else:
raise Exception_expected
#
rt = change_basis.w_from_string("1/2,1/3,1/4")
assert rt.r.elems == (0, ) * 9
assert str(rt.t.elems) == "(1/2, 1/3, 1/4)"
try:
change_basis.w_from_string("0")
except Sorry as e:
assert str(e) == \
'Uninterpretable expression for symmetry matrix'
else:
raise Exception_expected
#
xyz = change_basis.xyz_from_string("0.5,1/3,4")
assert str(xyz) == "(0.5, 1/3, 4)"
try:
change_basis.xyz_from_string("0")
except Sorry as e:
assert str(e) == \
'Uninterpretable expression for coordinates'
else:
raise Exception_expected
def exercise():
from cctbx.web import change_basis
from libtbx.utils import Sorry
from libtbx.test_utils import Exception_expected
def check(string, expected):
rt = change_basis.p_from_string(string)
ex = change_basis.p_from_string(expected)
assert rt.r == ex.r
assert rt.t == ex.t
check("", "a,b,c")
check("a,b,c", "a,b,c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}", "a,b,c")
check("2, 0, 0, 0, 2, 0, 0, 0, 2", "2a,2b,2c")
check("{{1/2, 0, 0}, {0, 1/2, 0}, {0, 0, 1/2}}", "1/2a,1/2b,1/2c")
check("{{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}, 1/2, 1/3, 1/4",
"a+1/2,b+1/3,c+1/4")
check("(1 0 0 | 1/2) (0 1 0 | 1/3) (0 0 1 | 1/4)",
"a+1/2,b+1/3,c+1/4")
check("1/2,1/3,1/4", "a+1/2,b+1/3,c+1/4")
try:
change_basis.p_from_string("0")
except Sorry, e:
assert str(e) == \
'Uninterpretable expression for change-of-basis matrix: "0"'
def check(string, expected):
rt = change_basis.p_from_string(string)
ex = change_basis.p_from_string(expected)
assert rt.r == ex.r
assert rt.t == ex.t
def check(string, expected): rt = change_basis.p_from_string(string) ex = change_basis.p_from_string(expected) assert rt.r == ex.r assert rt.t == ex.t
