def testCoordArgumentSwitching(self):
dist = 12.
neighbors1 = findNeighbors(UCA_XYZ, dist, UCA_XYZ[1])
neighbors2 = findNeighbors(UCA_XYZ[1], dist, UCA_XYZ)
n_neighbors = (calcDistance(UCA_XYZ, UCA_XYZ[1]) <= dist).sum()
assert_equal(len(neighbors1), n_neighbors)
neighbors1.sort()
neighbors2.sort()
assert_array_equal(array(neighbors1)[:, -1], array(neighbors2)[:, -1])
def testCoordArgumentSwitching(self):
dist = 12.0
neighbors1 = findNeighbors(UCA_XYZ, dist, UCA_XYZ[1])
neighbors2 = findNeighbors(UCA_XYZ[1], dist, UCA_XYZ)
n_neighbors = (calcDistance(UCA_XYZ, UCA_XYZ[1]) <= dist).sum()
assert_equal(len(neighbors1), n_neighbors)
neighbors1.sort()
neighbors2.sort()
assert_array_equal(array(neighbors1)[:, -1], array(neighbors2)[:, -1])
def testNoPBC(self):
neighbors = findNeighbors(UCA_XYZ, UCA_RADIUS)
n_neighbors = (buildDistMatrix(UCA_XYZ, format='arr') <=
UCA_RADIUS).sum()
assert_equal(len(neighbors), n_neighbors)
def testNoPBC(self):
neighbors = findNeighbors(UCA_XYZ, UCA_RADIUS)
n_neighbors = (buildDistMatrix(UCA_XYZ,
format='arr') <= UCA_RADIUS).sum()
assert_equal(len(neighbors), n_neighbors)
def testPBC(self):
neighbors = findNeighbors(UCA_XYZ, UCA_RADIUS, unitcell=UCA_UC)
n_neighbors = (buildDistMatrix(UCA_XYZ, unitcell=UCA_UC, format="arr") <= UCA_RADIUS).sum()
assert_equal(len(neighbors), n_neighbors)
