Module talk:CineMol/testcases

Api

All 24 tests passed.

test_filter_atoms_and_bonds

test_filter_atoms_and_bonds

	Test	Expected	Actual
Y	filtered atoms	4	4
Y	filtered bonds	3	3

test_filter_atoms_and_bonds_with_filtering

test_filter_atoms_and_bonds_with_filtering

	Test	Expected	Actual
Y	filtered atoms	1	1
Y	filtered bonds	0	0

test_filter_atoms_and_bonds_with_filtering_out_all_atoms

test_filter_atoms_and_bonds_with_filtering_out_all_atoms

	Test	Expected	Actual
Y	filtered atoms	0	0
Y	filtered bonds	0	0

test_draw_bonds_in_wireframe_style_without_supplying_bonds

test_draw_bonds_in_wireframe_style_without_supplying_bonds

	Test	Expected	Actual
Y	nodes	0	0

test_draw_bonds_in_wireframe_style

test_draw_bonds_in_wireframe_style

	Test	Expected	Actual
Y	nodes	6	6

test_draw_atoms_in_spacefilling_style

test_draw_atoms_in_spacefilling_style

	Test	Expected	Actual
Y	nodes	4	4

test_draw_atoms_in_tube_style

test_draw_atoms_in_tube_style

	Test	Expected	Actual
Y	nodes	0	0

test_draw_molecule_in_spacefilling_style

test_draw_molecule_in_spacefilling_style

	Test	Expected	Actual
Y	objects	4	4
Y	fills	4	4

test_draw_molecule_in_spacefilling_style_glossy

test_draw_molecule_in_spacefilling_style_glossy

	Test	Expected	Actual
Y	objects	4	4
Y	fills	4	4

test_draw_molecule_in_tube_style

test_draw_molecule_in_tube_style

	Test	Expected	Actual
Y	objects	6	6
Y	fills	6	6

test_draw_molecule_in_wireframe_style

test_draw_molecule_in_wireframe_style

	Test	Expected	Actual
Y	objects	6	6
Y	fills	6	6

test_draw_molecule_with_single_colored_triple_bond_in_ball_and_stick_style

test_draw_molecule_with_single_colored_triple_bond_in_ball_and_stick_style

	Test	Expected	Actual
Y	objects	5	5
Y	fills	5	5

test_draw_molecule_with_multi_colored_triple_bond_in_ball_and_stick_style

test_draw_molecule_with_multi_colored_triple_bond_in_ball_and_stick_style

	Test	Expected	Actual
Y	objects	8	8
Y	fills	8	8

test_draw_molecule_with_single_and_triple_bonds_in_ball_and_stick_style

test_draw_molecule_with_single_and_triple_bonds_in_ball_and_stick_style

	Test	Expected	Actual
Y	objects	11	11
Y	fills	11	11

fitting

All 2 tests passed.

test_calculate_convex_hull_basic

test_calculate_convex_hull_basic

	Test	Expected	Actual
Y	basic	{1,4,3,2}	{1,4,3,2}

test_calculate_convex_hull_including_centroid

test_calculate_convex_hull_including_centroid

	Test	Expected	Actual
Y	basic	{1,4,3,2}	{1,4,3,2}

geometry

All 454 tests passed.

test_vector3d_creation

test_vector3d_creation

	Test	Expected	Actual
Y	vector x	1	1
Y	vector y	2	2
Y	vector z	3	3

test_random_vector3d

test_random_vector3d

	Test	Expected	Actual
Y	vector x	true	true
Y	vector y	true	true
Y	vector z	true	true

test_vector3d_length

test_vector3d_length

	Test	Expected	Actual
Y	length	true	true

test_GramSchmidt

test_GramSchmidt

	Test	Expected	Actual
Y	n not null	table	table
Y	v not null	table	table
Y	w not null	table	table
Y	w is Vector3D	Vector3D	Vector3D
Y	AlmostEquals 0	true	true
Y	AlmostEquals 0	true	true

test_same_side_of_plane_same_side

test_same_side_of_plane_same_side

	Test	Expected	Actual
Y	same_side	true	true

test_same_side_of_plane_opposite_side

test_same_side_of_plane_opposite_side

	Test	Expected	Actual
Y	same_side	false	false

test_distance_to_line

test_distance_to_line

	Test	Expected	Actual
Y	is zero	true	true
Y	not zero	true	true

test_three_perpendicular_lines

test_three_perpendicular_lines

	Test	Expected	Actual
Y	1.start 2.start	true	true
Y	1.end 2.end	true	true
Y	2.start 3.start	true	true
Y	2.end 3.end	true	true
Y	start1 start3	true	true
Y	end.1 end.3	true	true
Y	1.start line.start	true	true
Y	1.end line.end	true	true
Y	3.start line.start	true	true
Y	3.end line.end	true	true
Y	2.start line.start	true	true
Y	2.end line.end	true	true

test_GetPointsOnLine3D

test_GetPointsOnLine3D

	Test	Expected	Actual
Y	number of lines returned	11	11
Y	distance start	true	true
Y	distance end	true	true
Y	distance to line 1	true	true
Y	distance to line 2	true	true
Y	distance to line 3	true	true
Y	distance to line 4	true	true
Y	distance to line 5	true	true
Y	distance to line 6	true	true
Y	distance to line 7	true	true
Y	distance to line 8	true	true
Y	distance to line 9	true	true
Y	distance to line 10	true	true
Y	distance to line 11	true	true

test_GetPointsOnCircumferenceCircle3D

test_GetPointsOnCircumferenceCircle3D

	Test	Expected	Actual
Y	number of points	10	10
Y	dist to radius 1	true	true
Y	dist to radius 2	true	true
Y	dist to radius 3	true	true
Y	dist to radius 4	true	true
Y	dist to radius 5	true	true
Y	dist to radius 6	true	true
Y	dist to radius 7	true	true
Y	dist to radius 8	true	true
Y	dist to radius 9	true	true
Y	dist to radius 10	true	true

test_GetPointsOnSurfaceCircle3D

test_GetPointsOnSurfaceCircle3D

	Test	Expected	Actual
Y	number of pts	30	30
Y	point is inside circle 1	true	true
Y	z is 0 - 1	true	true
Y	point is inside circle 2	true	true
Y	z is 0 - 2	true	true
Y	point is inside circle 3	true	true
Y	z is 0 - 3	true	true
Y	point is inside circle 4	true	true
Y	z is 0 - 4	true	true
Y	point is inside circle 5	true	true
Y	z is 0 - 5	true	true
Y	point is inside circle 6	true	true
Y	z is 0 - 6	true	true
Y	point is inside circle 7	true	true
Y	z is 0 - 7	true	true
Y	point is inside circle 8	true	true
Y	z is 0 - 8	true	true
Y	point is inside circle 9	true	true
Y	z is 0 - 9	true	true
Y	point is inside circle 10	true	true
Y	z is 0 - 10	true	true
Y	point is inside circle 11	true	true
Y	z is 0 - 11	true	true
Y	point is inside circle 12	true	true
Y	z is 0 - 12	true	true
Y	point is inside circle 13	true	true
Y	z is 0 - 13	true	true
Y	point is inside circle 14	true	true
Y	z is 0 - 14	true	true
Y	point is inside circle 15	true	true
Y	z is 0 - 15	true	true
Y	point is inside circle 16	true	true
Y	z is 0 - 16	true	true
Y	point is inside circle 17	true	true
Y	z is 0 - 17	true	true
Y	point is inside circle 18	true	true
Y	z is 0 - 18	true	true
Y	point is inside circle 19	true	true
Y	z is 0 - 19	true	true
Y	point is inside circle 20	true	true
Y	z is 0 - 20	true	true
Y	point is inside circle 21	true	true
Y	z is 0 - 21	true	true
Y	point is inside circle 22	true	true
Y	z is 0 - 22	true	true
Y	point is inside circle 23	true	true
Y	z is 0 - 23	true	true
Y	point is inside circle 24	true	true
Y	z is 0 - 24	true	true
Y	point is inside circle 25	true	true
Y	z is 0 - 25	true	true
Y	point is inside circle 26	true	true
Y	z is 0 - 26	true	true
Y	point is inside circle 27	true	true
Y	z is 0 - 27	true	true
Y	point is inside circle 28	true	true
Y	z is 0 - 28	true	true
Y	point is inside circle 29	true	true
Y	z is 0 - 29	true	true
Y	point is inside circle 30	true	true
Y	z is 0 - 30	true	true

test_GetPointsOnSurfaceCap

test_GetPointsOnSurfaceCap

	Test	Expected	Actual
Y	point inside circle FLAT_CAP 1	true	true
Y	FLAT CAP z=0 1	true	true
Y	point inside circle FLAT_CAP 2	true	true
Y	FLAT CAP z=0 2	true	true
Y	point inside circle FLAT_CAP 3	true	true
Y	FLAT CAP z=0 3	true	true
Y	point inside circle FLAT_CAP 4	true	true
Y	FLAT CAP z=0 4	true	true
Y	point inside circle FLAT_CAP 5	true	true
Y	FLAT CAP z=0 5	true	true
Y	point inside circle FLAT_CAP 6	true	true
Y	FLAT CAP z=0 6	true	true
Y	point inside circle FLAT_CAP 7	true	true
Y	FLAT CAP z=0 7	true	true
Y	point inside circle FLAT_CAP 8	true	true
Y	FLAT CAP z=0 8	true	true
Y	point inside circle FLAT_CAP 9	true	true
Y	FLAT CAP z=0 9	true	true
Y	point inside circle FLAT_CAP 10	true	true
Y	FLAT CAP z=0 10	true	true
Y	point inside circle FLAT_CAP 1	true	true
Y	ROUND CAP z=0 1	true	true
Y	point inside circle FLAT_CAP 2	true	true
Y	ROUND CAP z=0 2	true	true
Y	point inside circle FLAT_CAP 3	true	true
Y	ROUND CAP z=0 3	true	true
Y	point inside circle FLAT_CAP 4	true	true
Y	ROUND CAP z=0 4	true	true
Y	point inside circle FLAT_CAP 5	true	true
Y	ROUND CAP z=0 5	true	true
Y	point inside circle FLAT_CAP 6	true	true
Y	ROUND CAP z=0 6	true	true
Y	point inside circle FLAT_CAP 7	true	true
Y	ROUND CAP z=0 7	true	true
Y	point inside circle FLAT_CAP 8	true	true
Y	ROUND CAP z=0 8	true	true
Y	point inside circle FLAT_CAP 9	true	true
Y	ROUND CAP z=0 9	true	true
Y	point inside circle FLAT_CAP 10	true	true
Y	ROUND CAP z=0 10	true	true
Y	point inside circle FLAT_CAP 11	true	true
Y	ROUND CAP z=0 11	true	true
Y	point inside circle FLAT_CAP 12	true	true
Y	ROUND CAP z=0 12	true	true
Y	point inside circle FLAT_CAP 13	true	true
Y	ROUND CAP z=0 13	true	true
Y	point inside circle FLAT_CAP 14	true	true
Y	ROUND CAP z=0 14	true	true
Y	point inside circle FLAT_CAP 15	true	true
Y	ROUND CAP z=0 15	true	true
Y	point inside circle FLAT_CAP 16	true	true
Y	ROUND CAP z=0 16	true	true
Y	point inside circle FLAT_CAP 17	true	true
Y	ROUND CAP z=0 17	true	true
Y	point inside circle FLAT_CAP 18	true	true
Y	ROUND CAP z=0 18	true	true
Y	point inside circle FLAT_CAP 19	true	true
Y	ROUND CAP z=0 19	true	true
Y	point inside circle FLAT_CAP 20	true	true
Y	ROUND CAP z=0 20	true	true
Y	point inside circle FLAT_CAP 21	true	true
Y	ROUND CAP z=0 21	true	true
Y	point inside circle FLAT_CAP 22	true	true
Y	ROUND CAP z=0 22	true	true
Y	point inside circle FLAT_CAP 23	true	true
Y	ROUND CAP z=0 23	true	true
Y	point inside circle FLAT_CAP 24	true	true
Y	ROUND CAP z=0 24	true	true
Y	point inside circle FLAT_CAP 25	true	true
Y	ROUND CAP z=0 25	true	true
Y	point inside circle FLAT_CAP 26	true	true
Y	ROUND CAP z=0 26	true	true
Y	point inside circle FLAT_CAP 27	true	true
Y	ROUND CAP z=0 27	true	true
Y	point inside circle FLAT_CAP 28	true	true
Y	ROUND CAP z=0 28	true	true
Y	point inside circle FLAT_CAP 29	true	true
Y	ROUND CAP z=0 29	true	true
Y	point inside circle FLAT_CAP 30	true	true
Y	ROUND CAP z=0 30	true	true
Y	point inside circle FLAT_CAP 31	true	true
Y	ROUND CAP z=0 31	true	true
Y	point inside circle FLAT_CAP 32	true	true
Y	ROUND CAP z=0 32	true	true
Y	point inside circle FLAT_CAP 33	true	true
Y	ROUND CAP z=0 33	true	true
Y	point inside circle FLAT_CAP 34	true	true
Y	ROUND CAP z=0 34	true	true
Y	point inside circle FLAT_CAP 35	true	true
Y	ROUND CAP z=0 35	true	true
Y	point inside circle FLAT_CAP 36	true	true
Y	ROUND CAP z=0 36	true	true
Y	point inside circle FLAT_CAP 37	true	true
Y	ROUND CAP z=0 37	true	true
Y	point inside circle FLAT_CAP 38	true	true
Y	ROUND CAP z=0 38	true	true
Y	point inside circle FLAT_CAP 39	true	true
Y	ROUND CAP z=0 39	true	true
Y	point inside circle FLAT_CAP 40	true	true
Y	ROUND CAP z=0 40	true	true
Y	point inside circle FLAT_CAP 41	true	true
Y	ROUND CAP z=0 41	true	true
Y	point inside circle FLAT_CAP 42	true	true
Y	ROUND CAP z=0 42	true	true
Y	point inside circle FLAT_CAP 43	true	true
Y	ROUND CAP z=0 43	true	true
Y	point inside circle FLAT_CAP 44	true	true
Y	ROUND CAP z=0 44	true	true
Y	point inside circle FLAT_CAP 45	true	true
Y	ROUND CAP z=0 45	true	true
Y	point inside circle FLAT_CAP 46	true	true
Y	ROUND CAP z=0 46	true	true
Y	point inside circle FLAT_CAP 47	true	true
Y	ROUND CAP z=0 47	true	true
Y	point inside circle FLAT_CAP 48	true	true
Y	ROUND CAP z=0 48	true	true
Y	point inside circle FLAT_CAP 49	true	true
Y	ROUND CAP z=0 49	true	true
Y	point inside circle FLAT_CAP 50	true	true
Y	ROUND CAP z=0 50	true	true
Y	point inside circle FLAT_CAP 51	true	true
Y	ROUND CAP z=0 51	true	true
Y	point inside circle FLAT_CAP 52	true	true
Y	ROUND CAP z=0 52	true	true
Y	point inside circle FLAT_CAP 53	true	true
Y	ROUND CAP z=0 53	true	true
Y	point inside circle FLAT_CAP 54	true	true
Y	ROUND CAP z=0 54	true	true
Y	point inside circle FLAT_CAP 55	true	true
Y	ROUND CAP z=0 55	true	true
Y	point inside circle FLAT_CAP 56	true	true
Y	ROUND CAP z=0 56	true	true
Y	point inside circle FLAT_CAP 57	true	true
Y	ROUND CAP z=0 57	true	true
Y	point inside circle FLAT_CAP 58	true	true
Y	ROUND CAP z=0 58	true	true
Y	point inside circle FLAT_CAP 59	true	true
Y	ROUND CAP z=0 59	true	true
Y	point inside circle FLAT_CAP 60	true	true
Y	ROUND CAP z=0 60	true	true
Y	point inside circle FLAT_CAP 61	true	true
Y	ROUND CAP z=0 61	true	true
Y	point inside circle FLAT_CAP 62	true	true
Y	ROUND CAP z=0 62	true	true
Y	point inside circle FLAT_CAP 63	true	true
Y	ROUND CAP z=0 63	true	true
Y	point inside circle FLAT_CAP 64	true	true
Y	ROUND CAP z=0 64	true	true
Y	point inside circle FLAT_CAP 65	true	true
Y	ROUND CAP z=0 65	true	true
Y	point inside circle FLAT_CAP 66	true	true
Y	ROUND CAP z=0 66	true	true
Y	NO_CAP numb points	0	0

test_points_on_surface_cylinder_returns_points_on_surface

test_points_on_surface_cylinder_returns_points_on_surface

	Test	Expected	Actual
Y	point in radius 1	true	true
Y	point in radius 2	true	true
Y	point in radius 3	true	true
Y	point in radius 4	true	true
Y	point in radius 5	true	true
Y	point in radius 6	true	true
Y	point in radius 7	true	true
Y	point in radius 8	true	true
Y	point in radius 9	true	true
Y	point in radius 10	true	true
Y	point in radius 11	true	true
Y	point in radius 12	true	true
Y	point in radius 13	true	true
Y	point in radius 14	true	true
Y	point in radius 15	true	true
Y	point in radius 16	true	true
Y	point in radius 17	true	true
Y	point in radius 18	true	true
Y	point in radius 19	true	true
Y	point in radius 20	true	true
Y	point in radius 21	true	true
Y	point in radius 22	true	true
Y	point in radius 23	true	true
Y	point in radius 24	true	true
Y	point in radius 25	true	true
Y	point in radius 26	true	true
Y	point in radius 27	true	true
Y	point in radius 28	true	true
Y	point in radius 29	true	true
Y	point in radius 30	true	true
Y	point in radius 31	true	true
Y	point in radius 32	true	true
Y	point in radius 33	true	true
Y	point in radius 34	true	true
Y	point in radius 35	true	true
Y	point in radius 36	true	true
Y	point in radius 37	true	true
Y	point in radius 38	true	true
Y	point in radius 39	true	true
Y	point in radius 40	true	true
Y	point in radius 41	true	true
Y	point in radius 42	true	true
Y	point in radius 43	true	true
Y	point in radius 44	true	true
Y	point in radius 45	true	true
Y	point in radius 46	true	true
Y	point in radius 47	true	true
Y	point in radius 48	true	true
Y	point in radius 49	true	true
Y	point in radius 50	true	true
Y	point in radius 51	true	true
Y	point in radius 52	true	true
Y	point in radius 53	true	true
Y	point in radius 54	true	true
Y	point in radius 55	true	true
Y	point in radius 56	true	true
Y	point in radius 57	true	true
Y	point in radius 58	true	true
Y	point in radius 59	true	true
Y	point in radius 60	true	true
Y	point in radius 61	true	true
Y	point in radius 62	true	true
Y	point in radius 63	true	true
Y	point in radius 64	true	true
Y	point in radius 65	true	true
Y	point in radius 66	true	true
Y	point in radius 67	true	true
Y	point in radius 68	true	true
Y	point in radius 69	true	true
Y	point in radius 70	true	true
Y	point in radius 71	true	true
Y	point in radius 72	true	true
Y	point in radius 73	true	true
Y	point in radius 74	true	true
Y	point in radius 75	true	true
Y	point in radius 76	true	true
Y	point in radius 77	true	true
Y	point in radius 78	true	true
Y	point in radius 79	true	true
Y	point in radius 80	true	true
Y	point in radius 81	true	true
Y	point in radius 82	true	true
Y	point in radius 83	true	true
Y	point in radius 84	true	true
Y	point in radius 85	true	true
Y	point in radius 86	true	true
Y	point in radius 87	true	true
Y	point in radius 88	true	true
Y	point in radius 89	true	true
Y	point in radius 90	true	true
Y	point in radius 91	true	true
Y	point in radius 92	true	true
Y	point in radius 93	true	true
Y	point in radius 94	true	true
Y	point in radius 95	true	true
Y	point in radius 96	true	true
Y	point in radius 97	true	true
Y	point in radius 98	true	true
Y	point in radius 99	true	true
Y	point in radius 100	true	true
Y	point in radius 101	true	true
Y	point in radius 102	true	true
Y	point in radius 103	true	true
Y	point in radius 104	true	true
Y	point in radius 105	true	true
Y	point in radius 106	true	true
Y	point in radius 107	true	true
Y	point in radius 108	true	true
Y	point in radius 109	true	true
Y	point in radius 110	true	true

test_point_is_inside_sphere_inside

test_point_is_inside_sphere_inside

	Test	Expected	Actual
Y	inside sphere	true	true
Y	outside sphere	false	false

test_point_is_inside_cylinder

test_point_is_inside_cylinder

	Test	Expected	Actual
Y	inside	true	true
Y	outside	false	false

test_sphere_intersects_with_sphere

test_sphere_intersects_with_sphere

	Test	Expected	Actual
Y	intersects	true	true
Y	not intersects	false	false

test_sphere_intersects_with_cylinder

test_sphere_intersects_with_cylinder

	Test	Expected	Actual
Y	intersects	true	true
Y	not intersects	false	false

test_cylinder_intersects_with_cylinder

test_cylinder_intersects_with_cylinder

	Test	Expected	Actual
Y	intersects	true	true
Y	not intersects	false	false

test_points_on_surface_sphere_returns_points_on_surface

test_points_on_surface_sphere_returns_points_on_surface

	Test	Expected	Actual
Y	point 1	true	true
Y	point 2	true	true
Y	point 3	true	true
Y	point 4	true	true
Y	point 5	true	true
Y	point 6	true	true
Y	point 7	true	true
Y	point 8	true	true
Y	point 9	true	true
Y	point 10	true	true
Y	point 11	true	true
Y	point 12	true	true
Y	point 13	true	true
Y	point 14	true	true
Y	point 15	true	true
Y	point 16	true	true
Y	point 17	true	true
Y	point 18	true	true
Y	point 19	true	true
Y	point 20	true	true
Y	point 21	true	true
Y	point 22	true	true
Y	point 23	true	true
Y	point 24	true	true
Y	point 25	true	true
Y	point 26	true	true
Y	point 27	true	true
Y	point 28	true	true
Y	point 29	true	true
Y	point 30	true	true
Y	point 31	true	true
Y	point 32	true	true
Y	point 33	true	true
Y	point 34	true	true
Y	point 35	true	true
Y	point 36	true	true
Y	point 37	true	true
Y	point 38	true	true
Y	point 39	true	true
Y	point 40	true	true
Y	point 41	true	true
Y	point 42	true	true
Y	point 43	true	true
Y	point 44	true	true
Y	point 45	true	true
Y	point 46	true	true
Y	point 47	true	true
Y	point 48	true	true
Y	point 49	true	true
Y	point 50	true	true
Y	point 51	true	true
Y	point 52	true	true
Y	point 53	true	true
Y	point 54	true	true
Y	point 55	true	true
Y	point 56	true	true
Y	point 57	true	true
Y	point 58	true	true
Y	point 59	true	true
Y	point 60	true	true
Y	point 61	true	true
Y	point 62	true	true
Y	point 63	true	true
Y	point 64	true	true
Y	point 65	true	true
Y	point 66	true	true

parsers

All 10 tests passed.

test_parse_sdf_with_one_mol_below_100_atoms_with_end_line

test_parse_sdf_with_one_mol_below_100_atoms_with_end_line

	Test	Expected	Actual
Y	len(atoms)	41	41
Y	len(bonds)	43	43

test_parse_sdf_with_one_mol_below_100_atoms_without_end_line

test_parse_sdf_with_one_mol_below_100_atoms_without_end_line

	Test	Expected	Actual
Y	len(atoms)	41	41
Y	len(bonds)	43	43

test_parse_sdf_with_one_mol_below_100_atoms_excluding_hs

test_parse_sdf_with_one_mol_below_100_atoms_excluding_hs

	Test	Expected	Actual
Y	len(atoms)	23	23
Y	len(bonds)	25	25

test_parse_sdf_with_one_mol_above_100_atoms_without_end_line

test_parse_sdf_with_one_mol_above_100_atoms_without_end_line

	Test	Expected	Actual
Y	len(atoms)	100	100
Y	len(bonds)	109	109

test_parse_sdf_with_multiple_mols

test_parse_sdf_with_multiple_mols

	Test	Expected	Actual
Y	len(atoms)	41	41
Y	len(bonds)	43	43