def generate_outside(box, interior_points, unwrap_images, initial_images): """Generate test cases from interior points by adding box vectors.""" box = Box.from_box(box) matrix = box.to_matrix() input_points = numpy.zeros( (len(interior_points), len(unwrap_images), len(initial_images), 3)) check_points = numpy.zeros_like(input_points) input_images = numpy.zeros_like(input_points, dtype=int) check_images = numpy.zeros_like(input_points, dtype=int) for i, inside_point in enumerate(interior_points): for j, unwrap_image in enumerate(unwrap_images): for k, initial_image in enumerate(initial_images): input_points[i, j, k, :] = matrix @ unwrap_image + inside_point check_points[i, j, k, :] = inside_point input_images[i, j, k, :] = initial_image check_images[i, j, k, :] = initial_image + unwrap_image return input_points.reshape((-1, 3)), check_points.reshape( (-1, 3)), input_images.reshape((-1, 3)), check_images.reshape((-1, 3))
def local_box(self): """hoomd.Box: The local box according to the domain decomposition.""" return Box.from_box(Box._from_cpp(self._local_box))
def global_box(self): """hoomd.Box: The global simulation box.""" return Box.from_box(self._box)