Add element count within each coordination number

[bobleesj]

Problem

While it has been implemented manually in SAF for binary and ternary, we want to automate this for all .cif files.

[bobleesj]

def get_element_count_in_CN(central_atom_site_label: str, cif):
    # Retrieve CN connections for the given atomic site label
    CN_connections = cif.CN_connections_by_min_dist_method[central_atom_site_label]
    
    # Initialize an empty dictionary to count occurrences of each element
    element_count = {}
    
    # Iterate over each connection tuple in CN_connections
    for connection in CN_connections:
        # Extract the label (e.g., 'Se1', 'Li2') from the connection
        connected_atomic_label = connection[0]
        
        # Extract only the element part (e.g., 'Se', 'Li') from the label
        element = string_parser.get_atom_type_from_label(connected_atomic_label)
        
        # Increment the count for this element in the dictionary
        if element in element_count:
            element_count[element] += 1
        else:
            element_count[element] = 1
    
    return element_count

pretty simple.