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Question

I cannot get this code to connect the average points with a line. Would appreciate any help as i currently cannot figure out what to do in this situation.

here is the code:

def parse_icobi(icobilist: str) -> tuple[tuple[float, ...], tuple[float, ...]]:
    """
    Parse ICOBI data from ICOBILIST.lobster.

    Args:
        icobilist (str): Path to ICOBILIST.lobster.

    Returns:
        tuple[tuple[float, ...], tuple[float, ...]]: The Fe-S and Si-S ICOBI values.
    """

    co_s, si_s = [], []

    with open(icobilist, 'r') as stream:
        lines = stream.readlines()
        stream.close()

    markers = []
    for idx, line in enumerate(lines):
        if 'COBI#' in line:
            markers.append(idx)

    start, end = markers
    for idx, line in enumerate(lines[start + 1:end]):
        up = line.split()
        symbol_i, symbol_j = up[1], up[2]
        if 'Li' in symbol_j:
            continue

        down = lines[idx + 1 + end].split()

        if 'Co' in symbol_i and 'S' in symbol_j:
            co_s.append(float(up[-1]) + float(down[-1]))

        elif 'S' in symbol_i and 'Si' in symbol_j:
            si_s.append(float(up[-1]) + float(down[-1]))

    return tuple(co_s), tuple(si_s)
def calculate_average(data):
    averages = []
    for num in num_lithium:
        subset = [val for idx, val in enumerate(data) if x[idx] == num]
        if subset:
            avg = np.mean(subset)
        else:
            avg = np.nan  
        averages.append(avg)
    return averages


parse_icobi('co_dos_py/Li0/ICOBILIST.lobster')
parse_icobi('co_dos_py/Li1-134/ICOBILIST.lobster')
parse_icobi('co_dos_py/Li2-130/ICOBILIST.lobster')
parse_icobi('co_dos_py/Li3-95/ICOBILIST.lobster')
parse_icobi('co_dos_py/Li7-2/ICOBILIST.lobster')
parse_icobi('co_dos_py/Li8-0/ICOBILIST.lobster')


paths = ['co_dos_py/Li0/ICOBILIST.lobster' ,'co_dos_py/Li1-134/ICOBILIST.lobster','co_dos_py/Li2-130/ICOBILIST.lobster','co_dos_py/Li3-95/ICOBILIST.lobster','co_dos_py/Li7-2/ICOBILIST.lobster','co_dos_py/Li8-0/ICOBILIST.lobster']
num_lithium = [0,1,2,3,7,8]

for iteration_count, path in enumerate(paths):
    co_s, si_s = parse_icobi(path)
    x = [num_lithium[iteration_count] for idx in range(len(co_s))]
    z = [num_lithium[iteration_count] for idx in range(len(si_s))]
    print (co_s, len(co_s))
    print (si_s, len(si_s))
    print ()

    plt.scatter(x, co_s,s = 5, color='green',label= 'co_s')
    plt.scatter(z, si_s, s = 5, color='purple',label='si_s')
    avg_co = calculate_average(co_s)
    avg_si = calculate_average(si_s)
    
    plt.plot(num_lithium, avg_co, linestyle='--', color='green', marker='o', label='Average co_s')
    plt.plot(num_lithium, avg_si, linestyle='--', color='purple', marker='o', label='Average si_s')



plt.ylabel("Bond covalency")
plt.gca().invert_xaxis()
plt.savefig('covalency_co.png', dpi=300)
plt.show()

why isnt it letting me post this code i dont’get this website at all 🙁

why isnt it letting me post this code i dont’get this website at all 🙁
why isnt it letting me post this code i dont’get this website at all 🙁

why isnt it letting me post this code i dont’get this website at all 🙁

why isnt it letting me post this code i dont’get this website at all :

Thiết kế website giá rẻ

Danh mục

Why is this code not connecting my average values with a line despite me using the plt.plot and linestyle?