def test_splitter_inset():
c1 = named_parameter('c', 0.5)
x = named_parameter('x', [1,2])
y = named_parameter('y', ['a', 'b', 'c', 'd'])
z = named_parameter('z', [11,22])
ischeme = Constants(c1) >> ISE(x) >> ISE(y).split(2) >> ISE(z)
ischeme_parts = ischeme.nested_variables
ischeme_content = [IS(part) for part in ischeme_parts]
parts = [list(p) for p in ischeme_content]
assert(len(parts) == 2)
assert(len(parts[0]) == 8)
assert(len(parts[1]) == 8)
assert(parts[0][0] == (0.5, 1, 'a', 11))
assert(parts[0][1] == (0.5, 1, 'a', 22))
assert(parts[0][2] == (0.5, 1, 'b', 11))
assert(parts[0][3] == (0.5, 1, 'b', 22))
assert(parts[0][4] == (0.5, 2, 'a', 11))
assert(parts[0][5] == (0.5, 2, 'a', 22))
assert(parts[0][6] == (0.5, 2, 'b', 11))
assert(parts[0][7] == (0.5, 2, 'b', 22))
assert(parts[1][0] == (0.5, 1, 'c', 11))
assert(parts[1][1] == (0.5, 1, 'c', 22))
assert(parts[1][2] == (0.5, 1, 'd', 11))
assert(parts[1][3] == (0.5, 1, 'd', 22))
assert(parts[1][4] == (0.5, 2, 'c', 11))
assert(parts[1][5] == (0.5, 2, 'c', 22))
assert(parts[1][6] == (0.5, 2, 'd', 11))
assert(parts[1][7] == (0.5, 2, 'd', 22))
def test_named_numpy_2():
c1 = named_parameter('c1', 0.5)
x = named_parameter('x', numpy.array([1.0,2.0,3.0]))
ischeme = Constants(c1) >> ISE(x)
ischeme_content = list(namedtuple_adapter(IS(ischeme)))
assert(len(ischeme_content) == 3)
for entry, xval in zip(ischeme_content, [1.0,2.0,3.0]):
assert(entry.c1 == 0.5)
assert(entry.x == xval)
def test_namedtuple_adapter():
c1 = named_parameter('c1', 0.5)
x = named_parameter('x', [1,2,3])
y = named_parameter('y', ['a','b','c'])
ischeme = Constants(c1) >> ISE(x) >> ISE(y)
ischeme_content = list(namedtuple_adapter(IS(ischeme.nested_variables)))
assert(len(ischeme_content) == 9)
for entry, xval, yval in zip(ischeme_content, [1,1,1,2,2,2,3,3,3], ['a','b','c']*3):
assert(entry.c1 == 0.5)
assert(entry.x == xval)
assert(entry.y == yval)
def test_single_string_named():
c1 = named_parameter('c1', 'some_string')
ischeme = Constants(c1)
ischeme_content = list(IS(ischeme))
assert(len(ischeme_content) == 1)
assert(ischeme_content[0] == ('some_string',))
def test_single_bool_named():
c1 = named_parameter('c1', False)
ischeme = Constants(c1)
ischeme_content = list(IS(ischeme))
assert(len(ischeme_content) == 1)
assert(ischeme_content[0] == (False,))
def test_splitter():
c1 = named_parameter('c', 0.5)
x = named_parameter('x', [1,2,3,4,5,6])
ischeme = Constants(c1) >> ISE(x).split(2)
ischeme_parts = ischeme.nested_variables
ischeme_content = [IS(part) for part in ischeme_parts]
parts = [list(p) for p in ischeme_content]
assert(len(parts) == 2)
assert(len(parts[0]) == 3)
assert(len(parts[1]) == 3)
assert(parts[0][0] == (0.5, 1, ))
assert(parts[0][1] == (0.5, 2, ))
assert(parts[0][2] == (0.5, 3, ))
assert(parts[1][0] == (0.5, 4, ))
assert(parts[1][1] == (0.5, 5, ))
assert(parts[1][2] == (0.5, 6, ))
def main():
temperature = named_parameter('t', 25.0)
um = named_parameter('um', -13.0 * 10**(-3))
phase = named_parameter('phase', 'i')
radius = named_parameter('radius', 25)
upot = named_parameter('upot', numpy.arange(0.0, 10.0, 1.0))
shift = named_parameter('shift', '10')
needprev = named_parameter('needprev', [False] + [True] * (len(upot) - 1))
ischeme_elements = Constants(temperature, um, phase, radius, shift) \
>> ISE(upot, needprev)
ischeme = namedtuple_adapter(IS(ischeme_elements))
subs_history = []
compute_substitutions = partial(_compute_substitutions, subs_history)
for values in ischeme:
subs = compute_substitutions(values)
sim_config = prepare_config('./sim.i')
new_config = sim_config(subs)
sim_filename = f"{subs['filebase']}.i"
with open(sim_filename, 'w') as simfile:
simfile.writelines(new_config)
ferret_run = f'mpiexec -n 28 ferret-opt -i {sim_filename}'
procresult = run(ferret_run, shell=True)
if procresult.returncode != 0:
exit(1)
def test_splitter_multiple():
c1 = named_parameter('c', 0.5)
x = named_parameter('x', [1,2,3,4,5,6])
y = named_parameter('y', 'abcdef')
ischeme = Constants(c1) >> ISE(x,y).split(2)
ischeme_parts = ischeme.nested_variables
ischeme_content = [IS(part) for part in ischeme_parts]
parts = [list(p) for p in ischeme_content]
assert(len(parts) == 2)
assert(len(parts[0]) == 3)
assert(len(parts[1]) == 3)
assert(parts[0][0] == (0.5, 1, 'a',))
assert(parts[0][1] == (0.5, 2, 'b',))
assert(parts[0][2] == (0.5, 3, 'c',))
assert(parts[1][0] == (0.5, 4, 'd',))
assert(parts[1][1] == (0.5, 5, 'e',))
assert(parts[1][2] == (0.5, 6, 'f',))
def test_dict_adapter():
c1 = named_parameter('c1', 0.5)
x = named_parameter('x', [1,2,3])
y = named_parameter('y', ['a','b','c'])
ischeme = Constants(c1) >> ISE(x) >> ISE(y)
ischeme_content = list(dict_adapter(IS(ischeme.nested_variables)))
assert(len(ischeme_content) == 9)
assert(ischeme_content[0] == dict(c1=0.5, x=1, y='a'))
assert(ischeme_content[1] == dict(c1=0.5, x=1, y='b'))
assert(ischeme_content[2] == dict(c1=0.5, x=1, y='c'))
assert(ischeme_content[3] == dict(c1=0.5, x=2, y='a'))
assert(ischeme_content[4] == dict(c1=0.5, x=2, y='b'))
assert(ischeme_content[5] == dict(c1=0.5, x=2, y='c'))
assert(ischeme_content[6] == dict(c1=0.5, x=3, y='a'))
assert(ischeme_content[7] == dict(c1=0.5, x=3, y='b'))
assert(ischeme_content[8] == dict(c1=0.5, x=3, y='c'))
def test_slice_numpy():
x = named_parameter('x', numpy.array([1,2,3,4,5,6]))
sl1 = x[:3]
sl2 = x[3:]
assert(len(sl1) == 3)
assert(len(sl2) == 3)
assert(sl1[0] == 1)
assert(sl1[1] == 2)
assert(sl1[2] == 3)
assert(sl2[0] == 4)
assert(sl2[1] == 5)
assert(sl2[2] == 6)
def test_splitter_noconstants():
x = named_parameter('x', [1,2,3,4,5,6])
ischeme = NoConstants() >> ISE(x).split(2)
ischeme_parts = ischeme.nested_variables
ischeme_content = [IS(part) for part in ischeme_parts]
parts = [list(p) for p in ischeme_content]
assert(len(parts) == 2)
assert(len(parts[0]) == 3)
assert(len(parts[1]) == 3)
assert(parts[0][0] == (1, ))
assert(parts[0][1] == (2, ))
assert(parts[0][2] == (3, ))
assert(parts[1][0] == (4, ))
assert(parts[1][1] == (5, ))
assert(parts[1][2] == (6, ))
