diff_compare

import numpy as np
import math
import sys

#python3 diff_compare.py name_file_IMD name_file_xraydb
#examples:
#python3 diff_compare.py Pt_substrate.dat Pt.dat
#python3 diff_compare.py Pd_substrate.dat Pd.dat

n = len(sys.argv)
print("Total arguments passed:", n)
if n!=3:
    print("2 args needed: name_file_IMD name_file_xraydb")
else:
    #filename="Pd.dat"
    filename=sys.argv[2]

    with open(filename) as f:
        lines=f.readlines()

    compteur=1

    list_matrix=[]
    for elt in lines:
        if compteur<=7:
            #print(elt)
            pass
        else:
            list_strings=elt.strip('\n').strip().split("      ")
            toadd=[float(i) for i in list_strings]
            list_matrix.append(toadd)
        compteur+=1

    npArrayXraydb = np.array(list_matrix)

    #filename="Pd_substrate.dat"
    filename=sys.argv[1]
    with open(filename) as ff:
        lines=ff.readlines()

    compteur=1

    list_matrix=[]
    for elt in lines:
        if compteur<=7:
            #print(elt)
            pass
        else:
            list_strings=elt.strip('\n').strip().split(" ")
            toadd=[float(i) for i in list_strings]
            list_matrix.append(toadd)
        compteur+=1

    npArrayImd = np.array(list_matrix)

    diff_matrices = np.absolute(npArrayXraydb-npArrayImd)

    max_elt = 0
    sum_elt = 0

    for rows in diff_matrices:
        for elt in rows:
            #print(elt)
            if elt<0:
                print(elt)
            if(max_elt<elt):
                max_elt=elt
            sum_elt += elt

    sum_elt=sum_elt/(2000*200)

    print("max difference: ",max_elt)
    print("mean difference: ",sum_elt)

    #https://fr.wikipedia.org/wiki/Norme_matricielle#Norme_de_Frobenius
    diff_matrices_adjointe=diff_matrices.conj().T

    a_astar = np.dot(diff_matrices , diff_matrices_adjointe)
    trace = np.trace(a_astar)
    print("Frobenius norm: ",math.sqrt(trace))