def test_gofrvec_fd(fakedata):
gofr, bin_edges = packing.pairCorrelationVector(fakedata[0],
cutoff=10,
dx=0.25,
fast=True)
assert gofr[0, 0] == -0.1 # Outside cutoff
assert max(gofr.flat) > 2
flatvals = gofr.flatten()
assert min(flatvals.compress(flatvals >= 0)) < 0.05
def test_gofrvec_fd(fakedata):
gofr, bin_edges = packing.pairCorrelationVector(fakedata[0], cutoff=10, dx=0.25, fast=True)
assert gofr[0, 0] == -0.1 # Outside cutoff
assert max(gofr.flat) > 2
flatvals = gofr.flatten()
assert min(flatvals.compress(flatvals >= 0)) < 0.05
def test_gofrvec_rd(realdata):
gofr, bin_edges = packing.pairCorrelationVector(realdata[1], fast=True)
assert gofr[0, 0] == -0.1 # Outside cutoff
assert max(gofr.flat) > 2
flatvals = gofr.flatten()
assert min(flatvals.compress(flatvals >= 0)) < 0.05
def test_gofrvec_rd(realdata):
gofr, bin_edges = packing.pairCorrelationVector(realdata[1], fast=True)
assert gofr[0, 0] == -0.1 # Outside cutoff
assert max(gofr.flat) > 2
flatvals = gofr.flatten()
assert min(flatvals.compress(flatvals >= 0)) < 0.05
