def test_add_node(self):
""" Make sure we can add node to canvas correctly.
"""
canvas = Grid3DCanvas()
n1 = Node3D([0.5, 0.5, 0.5])
n2 = Node3D([1.0, 1.0, 1.0])
canvas.add_node(n1)
canvas.add_node(n2)
# Check nodes in canvas.
self.assertTrue(canvas.nodes)
for node in canvas.nodes:
self.assertTrue(isinstance(node, Node3D))
# Check colors.
for c in canvas.node_edgecolors:
self.assertEqual(c, "#000000")
for c in canvas.node_colors:
self.assertEqual(c, "#000000")
# Check cooridnates.
ref_coordinates = [[0.5, 0.5, 0.5], [1.0, 1.0, 1.0]]
self.assertListEqual(ref_coordinates, canvas.node_coordinates.tolist())
plt.close(canvas.figure)
def test_add_edge(self):
""" Make sure we can add 3D edge to canvas correctly.
"""
canvas = Grid3DCanvas()
n1 = Node3D([0.5, 0.5, 0.5])
n2 = Node3D([1.0, 1.0, 1.0])
edge = Edge3D(n1, n2, n=10)
canvas.add_edge(edge)
ref_coordinates = [
[0.5, 0.5, 0.5],
[0.5454545454545454, 0.5454545454545454, 0.5454545454545454],
[0.5909090909090909, 0.5909090909090909, 0.5909090909090909],
[0.6363636363636364, 0.6363636363636364, 0.6363636363636364],
[0.6818181818181819, 0.6818181818181819, 0.6818181818181819],
[0.7272727272727273, 0.7272727272727273, 0.7272727272727273],
[0.7727272727272727, 0.7727272727272727, 0.7727272727272727],
[0.8181818181818181, 0.8181818181818181, 0.8181818181818181],
[0.8636363636363636, 0.8636363636363636, 0.8636363636363636],
[0.9090909090909092, 0.9090909090909092, 0.9090909090909092],
[0.9545454545454546, 0.9545454545454546, 0.9545454545454546],
[1.0, 1.0, 1.0]
]
self.assertListEqual(canvas.edge_coordinates.tolist(), ref_coordinates)
plt.close(canvas.figure)
def test_clone(self):
""" Make sure we can clone a new supercell.
"""
node1 = Node3D([1.0, 1.0, 1.0], color="#595959", width=1)
node2 = Node3D([0.5, 0.5, 0.5], color="#595959", width=1)
edge = Edge3D(node1, node2, n=10)
supercell = SuperCell3D([node1, node2], [edge])
supercell_clone = supercell.clone([0.5, 0.5, 0.5])
self.assertListEqual(supercell_clone.nodes[0].coordinate.tolist(),
[1.5, 1.5, 1.5])
self.assertListEqual(supercell_clone.nodes[1].coordinate.tolist(),
[1.0, 1.0, 1.0])
ref_x = [
1.5, 1.4545454545454546, 1.4090909090909092, 1.3636363636363638,
1.3181818181818181, 1.2727272727272727, 1.2272727272727273,
1.1818181818181819, 1.1363636363636362, 1.0909090909090908,
1.0454545454545454, 1.0
]
self.assertListEqual(supercell_clone.edges[0].x.tolist(), ref_x)
self.assertListEqual(supercell_clone.edges[0].y.tolist(), ref_x)
self.assertListEqual(supercell_clone.edges[0].z.tolist(), ref_x)
def test_construction_and_query(self):
""" Test we can construct SuperCell3D correctly.
"""
node1 = Node3D([1.0, 1.0, 1.0], color="#595959", width=1)
node2 = Node3D([0.5, 0.5, 0.5], color="#595959", width=1)
edge = Edge3D(node1, node2, n=10)
supercell = SuperCell3D([node1, node2], [edge])
def test_add(self):
node1 = Node3D([1.0, 1.0, 1.0], color="#595959", width=1)
node2 = Node3D([0.5, 0.5, 0.5], color="#595959", width=1)
edge = Edge3D(node1, node2, n=10)
s1 = SuperCell3D([node1, node2], [edge])
s2 = SuperCell3D([node1, node2], [edge])
s = s1 + s2
self.assertListEqual(s.nodes, [node1, node2, node1, node2])
self.assertListEqual(s.edges, [edge, edge])
def test_construction_and_query(self):
""" Test we can construct Grid2DNode correctly.
"""
node1 = Node3D([1.0, 1.0, 1.0], color="#595959", width=1)
node2 = Node3D([0.5, 0.5, 0.5], color="#595959", width=1)
edge = Edge3D(node1, node2, n=10)
ref_x = [
1.0, 0.9545454545454546, 0.9090909090909091, 0.8636363636363636,
0.8181818181818181, 0.7727272727272727, 0.7272727272727273,
0.6818181818181819, 0.6363636363636364, 0.5909090909090908,
0.5454545454545454, 0.5
]
self.assertListEqual(edge.x.tolist(), ref_x)
self.assertListEqual(edge.y.tolist(), ref_x)
self.assertListEqual(edge.z.tolist(), ref_x)
def test_clone(self):
""" Make sure we can clone a node correctly.
"""
node = Node3D([0.5, 0.5, 0.5], color="#595959", line_width=1)
node_clone = node.clone(relative_position=[0.5, 0.5, 0.5])
self.assertListEqual(node_clone.coordinate.tolist(), [1.0, 1.0, 1.0])
self.assertFalse(node is node_clone)
def test_construction_from_2d(self):
""" Make sure we can construct a 3D node from 2D node.
"""
node2d = Node2D([0.5, 0.5], color="#595959")
node3d = Node3D.from2d(node2d)
self.assertTrue(node3d, Node3D)
self.assertListEqual(node3d.coordinate.tolist(), [0.5, 0.5, 0.0])
self.assertEqual(node3d.color, node2d.color)
def test_move(self):
""" Test the edge can be moved correctly.
"""
node1 = Node3D([1.0, 1.0, 1.0], color="#595959", width=1)
node2 = Node3D([0.5, 0.5, 0.5], color="#595959", width=1)
edge = Edge3D(node1, node2, n=10)
edge.move([0.5, 0.5, 0.5])
ref_x = [
1.5, 1.4545454545454546, 1.4090909090909092, 1.3636363636363638,
1.3181818181818181, 1.2727272727272727, 1.2272727272727273,
1.1818181818181819, 1.1363636363636362, 1.0909090909090908,
1.0454545454545454, 1.0
]
self.assertListEqual(edge.x.tolist(), ref_x)
self.assertListEqual(edge.y.tolist(), ref_x)
self.assertListEqual(edge.z.tolist(), ref_x)
def test_draw(self):
""" Make sure we can draw in grid canvas without exception raised.
"""
canvas = Grid3DCanvas()
n1 = Node3D([0.5, 0.5, 0.5], zorder=3)
n2 = Node3D([1.0, 1.0, 1.0])
canvas.add_node(n1)
canvas.add_node(n2)
edge = Edge3D(n1, n2)
canvas.add_edge(edge)
# Check current zorder here.
self.assertEqual(canvas.current_zorder, 3)
canvas.draw()
plt.close(canvas.figure)
def test_move(self):
""" Make sure we can move the node correctly.
"""
node = Node3D([1.0, 1.0, 1.0], color="#595959", line_width=1)
node.move([1.0, 1.0, 1.0])
self.assertListEqual(node.coordinate.tolist(), [2.0, 2.0, 2.0])
# Check chain operation.
node.move([-1.0, -1.0, -1.0]).move([-1.0, -1.0, -1.0])
self.assertListEqual(node.coordinate.tolist(), [0.0, 0.0, 0.0])
def test_construction_and_query(self):
""" Test we can construct Grid2DNode correctly.
"""
node = Node3D([1.0, 1.0, 1.0], color="#595959", line_width=1)
self.assertListEqual(node.coordinate.tolist(), [1.0, 1.0, 1.0])
self.assertEqual(node.color, "#595959")
self.assertEqual(node.edgecolor, "#595959")
self.assertEqual(node.size, 400)
self.assertEqual(node.style, "o")
self.assertEqual(node.line_width, 1)
self.assertEqual(node.zdir, "z")
self.assertTrue(node.depthshade, True)
# Exception is expected when invalid cooridnate passed in.
self.assertRaises(ValueError, Node3D, [1.0, 0.0])