Exemplo n.º 1
0
    def test_clone(self):
        """ Make sure we can clone a new supercell.
        """
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(node1, node2, n=10)
        supercell = SuperCell2D([node1, node2], [edge])

        supercell_clone = supercell.clone([0.5, 0.5])

        self.assertListEqual(supercell_clone.nodes[0].coordinate.tolist(),
                             [1.5, 1.5])
        self.assertListEqual(supercell_clone.nodes[1].coordinate.tolist(),
                             [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)
Exemplo n.º 2
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 def test_construction_and_query(self):
     """ Test we can construct SuperCell2D correctly.
     """
     node1 = Node2D([1.0, 1.0], color="#595959", width=1)
     node2 = Node2D([0.5, 0.5], color="#595959", width=1)
     edge = Edge2D(node1, node2, n=10)
     supercell = SuperCell2D([node1, node2], [edge])
Exemplo n.º 3
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    def test_move(self):
        """ Test the edge can be moved correctly.
        """
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(node1, node2, n=10)
        supercell = SuperCell2D([node1, node2], [edge])

        supercell.move([0.5, 0.5])

        self.assertListEqual(node1.coordinate.tolist(), [1.5, 1.5])
        self.assertListEqual(node2.coordinate.tolist(), [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(edge.x.tolist(), ref_x)
        self.assertListEqual(edge.y.tolist(), ref_x)
Exemplo n.º 4
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    def test_construction_from2d(self):
        """ Make sure we can construct 3D edge from a 2D edge.
        """
        node1 = Node2D([1.0, 1.0])
        node2 = Node2D([1.0, 2.0])
        edge2d = Edge2D(node1, node2)

        edge3d = Edge3D.from2d(edge2d)

        self.assertTrue(isinstance(edge3d, Edge3D))
Exemplo n.º 5
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    def test_add(self):
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(node1, node2, n=10)
        s1 = SuperCell2D([node1, node2], [edge])
        s2 = SuperCell2D([node1, node2], [edge])

        s = s1 + s2

        self.assertListEqual(s.nodes, [node1, node2, node1, node2])
        self.assertListEqual(s.edges, [edge, edge])
Exemplo n.º 6
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    def to3d(self):
        """ Make sure we can map 2D supercell to 3D space.
        """
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(node1, node2, n=10)
        supercell = SuperCell2D([node1, node2], [edge])

        supercell3d = supercell.to3d()

        self.assertTrue(isinstance(supercell3d, SuperCell3D))
Exemplo n.º 7
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    def test_construction_from2d(self):
        """ Make sure we can construct 3D supercell from 2D suercell.
        """
        node1 = Node2D([1.0, 1.0])
        node2 = Node2D([1.0, 2.0])
        edge = Edge2D(node1, node2, n=10)
        supercell = SuperCell2D([node1, node2], [edge])

        supercell3d = SuperCell3D.from2d(supercell)

        self.assertTrue(isinstance(supercell3d, SuperCell3D))
Exemplo n.º 8
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    def test_to3d(self):
        """ Make sure we can map 2D edge to 3D space correctly.
        """
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(node1, node2, n=10)

        edge3d = edge.to3d()

        self.assertTrue(isinstance(edge3d, Edge3D))
        self.assertEqual(edge3d.color, edge.color)
        self.assertEqual(edge3d.width, edge.width)
Exemplo n.º 9
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    def test_construction_and_query(self):
        """ Test we can construct Grid2DNode correctly.
        """
        node1 = Node2D([1.0, 1.0], color="#595959", width=1)
        node2 = Node2D([0.5, 0.5], color="#595959", width=1)
        edge = Edge2D(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)