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