def manipulation(self, g):
vd1 = g.add_vertex()
vd2 = g.add_vertex()
vd3 = g.add_vertex()
vd4 = g.add_vertex()
g.add_edge(vertex1=vd1, vertex2=vd2)
g.add_edge(vertex1=vd1, vertex2=vd3)
g.add_edge(vertex1=vd2, vertex2=vd4)
visitor = bfs.distance_recording_visitor(start_vertex=vd1)
bfs.breadth_first_search(graph=g, vertex=vd1, visitor=visitor)
self.assertEqual(visitor.distance_for, {
vd1: 0,
vd2: 1,
vd3: 1,
vd4: 2
})
visitor2 = bfs.distance_recording_visitor(start_vertex=vd2)
bfs.breadth_first_search(graph=g, vertex=vd2, visitor=visitor2)
self.assertEqual(visitor2.distance_for, {
vd1: 1,
vd2: 0,
vd3: 2,
vd4: 1
})
def connected_segment_from(self, atom):
if atom not in self.descriptor_for:
raise ValueError, "Unknown atom: %s" % atom
from boost_adaptbx.graph import breadth_first_search as bfs
vertex = self.descriptor_for[atom]
visitor = bfs.vertex_recording_visitor(start_vertex=vertex)
bfs.breadth_first_search(
graph=self.graph,
vertex=vertex,
visitor=visitor,
)
atom_for = self.atom_for
return [atom_for[v] for v in visitor.visited_vertices]
def distances_from(self, atom):
if atom not in self.descriptor_for:
raise ValueError, "Unknown atom: %s" % atom
from boost_adaptbx.graph import breadth_first_search as bfs
vertex = self.descriptor_for[atom]
visitor = bfs.distance_recording_visitor(start_vertex=vertex)
bfs.breadth_first_search(
graph=self.graph,
vertex=vertex,
visitor=visitor,
)
atom_for = self.atom_for
return dict((atom_for[v], visitor.distance_for.get(v, None))
for v in self.descriptors)
def manipulation(self, g):
vd1 = g.add_vertex()
vd2 = g.add_vertex()
vd3 = g.add_vertex()
vd4 = g.add_vertex()
g.add_edge(vertex1=vd1, vertex2=vd2)
visitor = bfs.vertex_recording_visitor(start_vertex=vd1)
bfs.breadth_first_search(graph=g, vertex=vd1, visitor=visitor)
self.assertEqual(visitor.visited_vertices, [vd1, vd2])
visitor = bfs.vertex_recording_visitor(start_vertex=vd2)
bfs.breadth_first_search(graph=g, vertex=vd2, visitor=visitor)
self.assertEqual(visitor.visited_vertices, [vd2, vd1])
visitor = bfs.vertex_recording_visitor(start_vertex=vd3)
bfs.breadth_first_search(graph=g, vertex=vd3, visitor=visitor)
self.assertEqual(visitor.visited_vertices, [vd3])
g.add_edge(vertex1=vd2, vertex2=vd3)
g.add_edge(vertex1=vd2, vertex2=vd4)
visitor = bfs.vertex_recording_visitor(start_vertex=vd1)
bfs.breadth_first_search(graph=g, vertex=vd1, visitor=visitor)
self.assertEqual(visitor.visited_vertices[:2], [vd1, vd2])
self.assertEqual(
set(visitor.visited_vertices),
set([vd1, vd2, vd3, vd4]),
)
visitor = bfs.vertex_recording_visitor(start_vertex=vd2)
bfs.breadth_first_search(graph=g, vertex=vd2, visitor=visitor)
self.assertEqual(
set(visitor.visited_vertices),
set([vd1, vd2, vd3, vd4]),
)
self.assertEqual(visitor.visited_vertices[0], vd2)
g.add_edge(vertex1=vd1, vertex2=vd3)
visitor = bfs.vertex_recording_visitor(start_vertex=vd1)
bfs.breadth_first_search(graph=g, vertex=vd1, visitor=visitor)
self.assertEqual(
set(visitor.visited_vertices),
set([vd1, vd2, vd3, vd4]),
)
self.assertEqual(len(visitor.visited_vertices), 4)