[docs]
def get_shortest_distance(connections: dict) -> float:
"""Return the shortest distance in the supercell."""
min_dist = float("inf")
# Iterate over each site's connections in the dictionary
for _, connection_data in connections.items():
if connection_data[0][1] < min_dist:
min_dist = connection_data[0][1]
# Check if the found minimum distance is less than the threshold
return min_dist
[docs]
def get_shortest_distance_per_site(
connections: dict,
) -> dict[str, tuple[str, float]]:
"""Calculate the shortest distance for each label."""
shortest_dist_info: dict[str, tuple[str, float]] = {}
for label, connections in connections.items():
# Extract only the distances from each tuple
shortest_dist = connections[0][0]
connection_label = connections[0][1]
# Find the shortest distance and add it to the result dictionary
shortest_dist_info[label] = (shortest_dist, connection_label)
return shortest_dist_info