计算化学——python实现坐标替换与生成

python小白首次接触计算化学项目，目前着手做B56坐标中50个替换成C原子，要求生成结构具有对称性
程序设计经历了原坐标与对称操作矩阵相乘，新坐标与原坐标遍历比较距离，设置参数输出不同对称操作下的对称坐标对，点群矩阵中若干种对称操作组成的对称坐标集拼接与最终的排列组合
目前遗留问题：
1.排列组合尚未完成
2.计算程序中独立循环使用太频繁，简化与优化


from 矩阵相乘算法 import Matmul
import copy

def txt_read(files):#txt_read函数用来读取B104.xyz，并生成相应字典，避免手动输入。.xyz打不开依旧是大问题，最后还是转成.txt进行的
    txt_dict = {}
    fopen = open(files)
    i=1
    for line in fopen.readlines():
        line = str(line).replace("\n","")
        txt_list=[line.split(' ',3)[1],line.split(' ',3)[2],line.split(' ',3)[3]]#用空格分割三次，取后三位的笛卡尔坐标
        #print(txt_list)
        txt_dict[line.split(' ',3)[0]] = txt_list
        #split（）函数用法，逗号前面是以什么来分割，后面是分割成n+1个部分，且以数组形式从0开始
    fopen.close()
    return txt_dict
#用字典可以方便查找指定原子的坐标，比列表方便。

def molecular_centroid(xyz,i):#质心化
    r=0
    while i<312:
        r+=float(xyz[i])
        i+=3
    return r/104

def distance(xyz_new,xyz_ori,i,j):
            m=float(xyz_new[i][0])
            n=float(xyz_ori[j][0])
            m1=float(xyz_new[i][1])
            n1=float(xyz_ori[j][1])
            m2=float(xyz_new[i][2])
            n2=float(xyz_ori[j][2])
            return ((m-n) ** 2 + (m1 -n1) ** 2 + (m2-n2) **2)**0.5

def remove_duplicate(对称点集):
    c = copy.deepcopy(对称点集)
    aa = []
    for r in range(len(c) - 2):
        for t in range(r + 1, len(c)):
            if c[t][0] + c[t][1] == c[r][0] + c[r][1]:
                aa.append(t)
    #去重
    news_aa = []
    for id in aa:
        if id not in news_aa:
            news_aa.append(id)
    news_aa.sort()
    a = 0
    for i in range(0, len(news_aa)):
        b = news_aa[i] - a
        del c[b]
        a += 1
    return c

def remove_duplicate_plus(对称点集):
    c = copy.deepcopy(对称点集)
    aa = []
    for r in range(len(c) - 2):
        a=0
        for m in c[r]:
            a+=m
        for t in range(r + 1, len(c)):
            b=0
            for n in c[t]:
                b+=n
            if b == a:
                aa.append(t)
    news_aa = []
    for id in aa:
        if id not in news_aa:
            news_aa.append(id)
    news_aa.sort()
    a = 0
    for i in range(0, len(news_aa)):
        b = news_aa[i] - a
        del c[b]
        a += 1
    return c

#读取B104基础坐标文件
txt_original_dict = txt_read('104.1.txt')
#print(txt_original_dict)    #测试代码

#将字典转换为列表
txt_104=[]
txt_dic=txt_original_dict.copy()#copy一个防止修改原字典
for txt in txt_dic.values():
    for j in txt:
        #print(j)测试代码
        txt_104.append(j)
print(txt_104)#测试代码
# #将字典内的所有坐标转成列表，用到value循环

#计算104个坐标质心化后的一个坐标（r1,r2,r3）
r1=molecular_centroid(txt_104,0)
r2=molecular_centroid(txt_104,1)
r3=molecular_centroid(txt_104,2)
print(r1)
print(r2)
print(r3)
#让所有原始坐标减去质心化坐标，达到质心化
txt_104_1=[]
txt_104_2=[]
t=0
while t < 312:
    txt_104_3 = []
    a = float(txt_104[t])
    b = float(txt_104[t+1])
    c = float(txt_104[t+2])
    a -= float(r1)
    txt_104_2.append(a)
    txt_104_3.append(a)
    b -= float(r2)
    txt_104_2.append(b)
    txt_104_3.append(b)
    c -= float(r3)
    txt_104_2.append(c)
    txt_104_3.append(c)
    t += 3
    txt_104_1.append(txt_104_3)
#txt_104_2是一维数组，有312个；txt_104_1是二维数组，有104个，大数组里存104个坐标.用_2是因为while循环里是一个一个传进去的，下一步优化代码优化while，并且把它放到class里
print(txt_104_1)
print(txt_104_2)
#质心化后的坐标与目标点群矩阵相乘，得到对称坐标
Flag=1
w=0
xyz_mult_E=[]
xyz_mult_c2=[]
xyz_mult_cs=[]
xyz_mult_ci=[]
xyz_mult_c5_1=[]
xyz_mult_c5_2=[]
xyz_mult_c5_3=[]
xyz_mult_c5_4=[]
xyz_mult_c5v_cs_1=[]
xyz_mult_c5v_cs_2=[]
xyz_mult_c5v_cs_3=[]
xyz_mult_c5v_cs_4=[]
xyz_mult_c5v_cs_5=[]
xyz_mult_d5_c2_1=[]
xyz_mult_d5_c2_2=[]
xyz_mult_d5_c2_3=[]
xyz_mult_d5_c2_4=[]
xyz_mult_d5_c2_5=[]
xyz_mult_d5d_cs_1=[]
xyz_mult_d5d_cs_2=[]
xyz_mult_d5d_cs_3=[]
xyz_mult_d5d_cs_4=[]
xyz_mult_d5d_cs_5=[]
xyz_mult_d5d_c2_1=[]
xyz_mult_d5d_c2_2=[]
xyz_mult_d5d_c2_3=[]
xyz_mult_d5d_c2_4=[]
xyz_mult_d5d_c2_5=[]
xyz_mult_d5d_s10_1=[]
xyz_mult_d5d_s10_2=[]
xyz_mult_d5d_s10_3=[]
xyz_mult_d5d_s10_4=[]
while Flag:
    mat1 = Matmul(mat_shape=(1, 3))#实例化1，指的是B104文件
    mat2 = Matmul(mat_shape=(3, 3))#实例化2，指的是点群矩阵
    mat3 = Matmul(mat_shape=(3,3))
    mat4 = Matmul(mat_shape=(3,3))
    mat5 = Matmul(mat_shape=(3,3))
    mat6 = Matmul(mat_shape=(3, 3))
    mat7 = Matmul(mat_shape=(3, 3))
    mat8 = Matmul(mat_shape=(3, 3))
    mat9 = Matmul(mat_shape=(3, 3))
    mat10 = Matmul(mat_shape=(3, 3))
    mat11= Matmul(mat_shape=(3, 3))
    mat12= Matmul(mat_shape=(3, 3))
    mat13= Matmul(mat_shape=(3, 3))
    mat14= Matmul(mat_shape=(3, 3))
    mat15= Matmul(mat_shape=(3, 3))
    mat16= Matmul(mat_shape=(3, 3))
    mat17= Matmul(mat_shape=(3, 3))
    mat18= Matmul(mat_shape=(3, 3))
    mat19= Matmul(mat_shape=(3, 3))
    mat20= Matmul(mat_shape=(3, 3))
    mat21= Matmul(mat_shape=(3, 3))
    mat22= Matmul(mat_shape=(3, 3))
    mat23= Matmul(mat_shape=(3, 3))
    mat24 = Matmul(mat_shape=(3, 3))
    mat25 = Matmul(mat_shape=(3, 3))
    mat26 = Matmul(mat_shape=(3, 3))
    mat27 = Matmul(mat_shape=(3, 3))
    mat28 = Matmul(mat_shape=(3, 3))
    mat29 = Matmul(mat_shape=(3, 3))
    mat30 = Matmul(mat_shape=(3, 3))
    mat31 = Matmul(mat_shape=(3, 3))
    mat32 = Matmul(mat_shape=(3, 3))
    mat33= Matmul(mat_shape=(3,3))
    mat1.i=w
    w+=3#一次传3个，自增3
    mat1.d104(txt_104_2)#txt_104_2是不变的
    mat2.E()#E是变的.用哪个点群矩阵， 在这里改.调参位置
    #mat1.show()#测试代码
    #mat2.show()测试代码
    #print('结果为：')
    new=mat1.multiply(mat2)
    xyz_mult_E.append(new[0])
    #print(xyz_mult_E)
    if w>=312:
        Flag=0
    mat3.c2()
    new = mat1.multiply(mat3)
    xyz_mult_c2.append(new[0])
    #print(xyz_mult_c2)
    if w >= 312:
        Flag = 0
    mat4.cs()
    new = mat1.multiply(mat4)
    xyz_mult_cs.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat5.ci()
    new = mat1.multiply(mat5)
    xyz_mult_ci.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat6.c5_1()
    new = mat1.multiply(mat6)
    xyz_mult_c5_1.append(new[0])
    #print(xyz_mult_c5_1)
    if w >= 312:
        Flag = 0
    mat7.c5_2()
    new = mat1.multiply(mat7)
    xyz_mult_c5_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat8.c5_3()
    new = mat1.multiply(mat8)
    xyz_mult_c5_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat9.c5_4()
    new = mat1.multiply(mat9)
    xyz_mult_c5_4.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat10.c5v_cs_1()
    new = mat1.multiply(mat10)
    xyz_mult_c5v_cs_1.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat11.c5v_cs_2()
    new = mat1.multiply(mat11)
    xyz_mult_c5v_cs_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat12.c5v_cs_3()
    new = mat1.multiply(mat12)
    xyz_mult_c5v_cs_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat13.c5v_cs_4()
    new = mat1.multiply(mat13)
    xyz_mult_c5v_cs_4.append(new[0])
    #print(xyz_mult_c5v_cs_4)
    if w >= 312:
        Flag = 0
    mat14.c5v_cs_5()
    new = mat1.multiply(mat14)
    xyz_mult_c5v_cs_5.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat15.d5_c2_1()
    new = mat1.multiply(mat15)
    xyz_mult_d5_c2_1.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat16.d5_c2_2()
    new = mat1.multiply(mat16)
    xyz_mult_d5_c2_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat17.d5_c2_3()
    new = mat1.multiply(mat17)
    xyz_mult_d5_c2_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat18.d5_c2_4()
    new = mat1.multiply(mat18)
    xyz_mult_d5_c2_4.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat19.d5_c2_5()
    new = mat1.multiply(mat19)
    xyz_mult_d5_c2_5.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat20.d5d_cs_1()
    new = mat1.multiply(mat20)
    xyz_mult_d5d_cs_1.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat21.d5d_cs_2()
    new = mat1.multiply(mat21)
    xyz_mult_d5d_cs_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat22.d5d_cs_3()
    new = mat1.multiply(mat22)
    xyz_mult_d5d_cs_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat23.d5d_cs_4()
    new = mat1.multiply(mat23)
    xyz_mult_d5d_cs_4.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat24.d5d_cs_5()
    new = mat1.multiply(mat24)
    xyz_mult_d5d_cs_5.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat25.d5d_c2_1()
    new = mat1.multiply(mat25)
    xyz_mult_d5d_c2_1.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat26.d5d_c2_2()
    new = mat1.multiply(mat26)
    xyz_mult_d5d_c2_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat27.d5d_c2_3()
    new = mat1.multiply(mat27)
    xyz_mult_d5d_c2_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat28.d5d_c2_4()
    new = mat1.multiply(mat28)
    xyz_mult_d5d_c2_4.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat29.d5d_c2_5()
    new = mat1.multiply(mat29)
    xyz_mult_d5d_c2_5.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat30.d5d_s10()
    new = mat1.multiply(mat30)
    xyz_mult_d5d_s10_1.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat31.d5d_s10_2()
    new = mat1.multiply(mat31)
    xyz_mult_d5d_s10_2.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat32.d5d_s10_3()
    new = mat1.multiply(mat32)
    xyz_mult_d5d_s10_3.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
    mat33.d5d_s10_4()
    new = mat1.multiply(mat33)
    xyz_mult_d5d_s10_4.append(new[0])
    # print(xyz_new)
    if w >= 312:
        Flag = 0
#print(xyz_mult_c2)
xyz=[xyz_mult_E,xyz_mult_c2,xyz_mult_cs,xyz_mult_ci,xyz_mult_c5_1,xyz_mult_c5_2,xyz_mult_c5_3,xyz_mult_c5_4,xyz_mult_c5v_cs_1,xyz_mult_c5v_cs_2,xyz_mult_c5v_cs_3,xyz_mult_c5v_cs_4,xyz_mult_c5v_cs_5,xyz_mult_d5_c2_1,xyz_mult_d5_c2_2,xyz_mult_d5_c2_3,xyz_mult_d5_c2_4,xyz_mult_d5_c2_5,xyz_mult_d5d_cs_1,xyz_mult_d5d_cs_2,xyz_mult_d5d_cs_3,xyz_mult_d5d_cs_4,xyz_mult_d5d_cs_5,xyz_mult_d5d_c2_1,xyz_mult_d5d_c2_2,xyz_mult_d5d_c2_3,xyz_mult_d5d_c2_4,xyz_mult_d5d_c2_5,xyz_mult_d5d_s10_1,xyz_mult_d5d_s10_2,xyz_mult_d5d_s10_3,xyz_mult_d5d_s10_4]
#用得到的对称坐标与原坐标一一比较距离，符合条件的把对称坐标下标和原坐标下标存到列表里。因为矩阵相乘的时候原坐标和对称坐标是一一对应乘出来的，所以对称坐标的下标就是原坐标的下标。
#而对称坐标与原坐标一一比较得到距离符合条件的原坐标下标就是这个对称坐标对应的原坐标在这个点群矩阵下的对称坐标。
E_对称点集=[]
c2_对称点集=[]
cs_对称点集=[]
ci_对称点集=[]
c5_1对称点集=[]
c5_2对称点集=[]
c5_3对称点集=[]
c5_4对称点集=[]
c5v_cs_1对称点集=[]
c5v_cs_2对称点集=[]
c5v_cs_3对称点集=[]
c5v_cs_4对称点集=[]
c5v_cs_5对称点集=[]
d5_c2_1对称点集=[]
d5_c2_2对称点集=[]
d5_c2_3对称点集=[]
d5_c2_4对称点集=[]
d5_c2_5对称点集=[]
d5d_cs_1对称点集=[]
d5d_cs_2对称点集=[]
d5d_cs_3对称点集=[]
d5d_cs_4对称点集=[]
d5d_cs_5对称点集=[]
d5d_c2_1对称点集=[]
d5d_c2_2对称点集=[]
d5d_c2_3对称点集=[]
d5d_c2_4对称点集=[]
d5d_c2_5对称点集=[]
d5d_s10对称点集=[]
d5d_s10_2对称点集=[]
d5d_s10_3对称点集=[]
d5d_s10_4对称点集=[]
#用乘出来的新矩阵去和原来的坐标一一比较距离，距离小于一定值的坐标匹配组合
for b,c in enumerate(xyz):
    for i in range(104):
        for j in range(104):
            dis=distance(c,txt_104_1,i,j)#传进的第一个参数变
            if b in [1,2,8,9,10,11,12,18,19,20,21,22,23,24,25,26,27]:
                if dis <= 1.0:
                    symmetric_coordinates=[]
                    symmetric_coordinates.append(j)
                    symmetric_coordinates.append(i)
                    if  c==xyz_mult_c2:
                        c2_对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_cs:
                        cs_对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5v_cs_1:
                        c5v_cs_1对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5v_cs_2:
                        c5v_cs_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5v_cs_3:
                        c5v_cs_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5v_cs_4:
                        c5v_cs_4对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5v_cs_5:
                        c5v_cs_5对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_cs_1:
                        d5d_cs_1对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_cs_2:
                        d5d_cs_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_cs_3:
                        d5d_cs_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_cs_4:
                        d5d_cs_4对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_cs_5:
                        d5d_cs_5对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_c2_1:
                        d5d_c2_1对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_c2_2:
                        d5d_c2_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_c2_3:
                        d5d_c2_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_c2_4:
                        d5d_c2_4对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_c2_5:
                        d5d_c2_5对称点集.append(symmetric_coordinates)
            else:
                if dis <= 1.0e-5:
                    symmetric_coordinates=[]
                    symmetric_coordinates.append(j)
                    symmetric_coordinates.append(i)
                    if c==xyz_mult_E:
                        E_对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_ci:
                        ci_对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5_1:
                        c5_1对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5_2:
                        c5_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5_3:
                        c5_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_c5_4:
                        c5_4对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5_c2_1:
                        d5_c2_1对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5_c2_2:
                        d5_c2_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5_c2_3:
                        d5_c2_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5_c2_4:
                        d5_c2_4对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5_c2_5:
                        d5_c2_5对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_s10_1:
                        d5d_s10对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_s10_2:
                        d5d_s10_2对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_s10_3:
                        d5d_s10_3对称点集.append(symmetric_coordinates)
                    elif c==xyz_mult_d5d_s10_4:
                        d5d_s10_4对称点集.append(symmetric_coordinates)
对称点集=[E_对称点集,c2_对称点集,cs_对称点集,ci_对称点集,c5_1对称点集,c5_2对称点集,c5_3对称点集,c5_4对称点集,c5v_cs_1对称点集,c5v_cs_2对称点集,c5v_cs_3对称点集,c5v_cs_4对称点集,c5v_cs_5对称点集,d5_c2_1对称点集,d5_c2_2对称点集,d5_c2_3对称点集,d5_c2_4对称点集,d5_c2_5对称点集,d5d_cs_1对称点集,d5d_cs_2对称点集,d5d_cs_3对称点集,d5d_cs_4对称点集,d5d_cs_5对称点集,d5d_c2_1对称点集,d5d_c2_2对称点集,d5d_c2_3对称点集,d5d_c2_4对称点集,d5d_c2_5对称点集,d5d_s10对称点集,d5d_s10_2对称点集,d5d_s10_3对称点集,d5d_s10_4对称点集]
#去重，保留后80行
for c in 对称点集:
    for i in c[:]:
        a=c.index(i)
        if float(i[0])<=26 or float(i[1])<=26:
            del c[a]
    c=remove_duplicate(c)
#进一步连接，将零散的对称操作组合成对称矩阵集合
c2=[]
cs=[]
ci=[]
c5=[]
c5v=[]
d5=[]
d5d=[]
for i in range(77):
    a=int(i)+27
    b=0
    c=0
    d=0
    e=0
    f=0
    g=0
    h=0
    l=0
    m=0
    n=0
    o=0
    p=0
    q=0
    r=0
    s=0
    t=0
    u=0
    v=0
    w=0
    x=0
    y=0
    z=0
    temporary = []
    temporary.append(a)
    for j in range(len(c2_对称点集)):
        if c2_对称点集[j][0]==a:
            temporary.append(int(c2_对称点集[j][1]))
            c2.append(temporary)

    temporary = []
    temporary.append(a)
    for j in range(len(cs_对称点集)):
        if cs_对称点集[j][0] == a:
            temporary.append(int(cs_对称点集[j][1]))
            cs.append(temporary)

    temporary = []
    temporary.append(a)
    for j in range(len(ci_对称点集)):
        if ci_对称点集[j][0] == a:
            temporary.append(int(ci_对称点集[j][1]))
            ci.append(temporary)

    temporary = []
    temporary.append(a)
    for j in range(len(c5_1对称点集)):
        if c5_1对称点集[j][0]==a:
            b=(int(c5_1对称点集[j][1]))
    for j in range(len(c5_2对称点集)):
        if c5_2对称点集[j][0]==a:
            c=(int(c5_2对称点集[j][1]))
    for j in range(len(c5_3对称点集)):
        if c5_3对称点集[j][0] == a:
            d=(int(c5_3对称点集[j][1]))
    for j in range(len(c5_4对称点集)):
        if c5_4对称点集[j][0] == a:
            e=(int(c5_4对称点集[j][1]))
    if b!=0 and c!=0 and d!=0 and e!=0:
        temporary.append(int(b))
        temporary.append(int(c))
        temporary.append(int(d))
        temporary.append(int(e))
        c5.append(temporary)

    b = 0
    c = 0
    d = 0
    e = 0
    f = 0
    g = 0
    h = 0
    l = 0
    m = 0
    n = 0
    o = 0
    p = 0
    q = 0
    r = 0
    s = 0
    t = 0
    u = 0
    v = 0
    w = 0
    x = 0
    y = 0
    z = 0

    temporary = []
    temporary.append(a)
    for j in range(len(c5_1对称点集)):
        if c5_1对称点集[j][0] == a:
            b = (int(c5_1对称点集[j][1]))
    for j in range(len(c5_2对称点集)):
        if c5_2对称点集[j][0] == a:
            c = (int(c5_2对称点集[j][1]))
    for j in range(len(c5_3对称点集)):
        if c5_3对称点集[j][0] == a:
            d = (int(c5_3对称点集[j][1]))
    for j in range(len(c5_4对称点集)):
        if c5_4对称点集[j][0] == a:
            e = (int(c5_4对称点集[j][1]))
    for j in range(len(c5v_cs_1对称点集)):
        if c5v_cs_1对称点集[j][0] == a:
            f = (int(c5v_cs_1对称点集[j][1]))
    for j in range(len(c5v_cs_2对称点集)):
        if c5v_cs_2对称点集[j][0] == a:
            g = (int(c5v_cs_2对称点集[j][1]))
    for j in range(len(c5v_cs_3对称点集)):
        if c5v_cs_3对称点集[j][0] == a:
            h = (int(c5v_cs_3对称点集[j][1]))
    for j in range(len(c5v_cs_4对称点集)):
        if c5v_cs_4对称点集[j][0] == a:
            l = (int(c5v_cs_4对称点集[j][1]))
    for j in range(len(c5v_cs_5对称点集)):
        if c5v_cs_5对称点集[j][0] == a:
            m = (int(c5v_cs_5对称点集[j][1]))
    if b != 0 and c != 0 and d != 0 and e != 0 and f!=0 and g!=0 and h!=0 and l!=0 and m!=0:
        temporary.append(int(b))
        temporary.append(int(c))
        temporary.append(int(d))
        temporary.append(int(e))
        temporary.append(int(f))
        temporary.append(int(g))
        temporary.append(int(h))
        temporary.append(int(l))
        temporary.append(int(m))
        c5v.append(temporary)

    b = 0
    c = 0
    d = 0
    e = 0
    f = 0
    g = 0
    h = 0
    l = 0
    m = 0
    n = 0
    o = 0
    p = 0
    q = 0
    r = 0
    s = 0
    t = 0
    u = 0
    v = 0
    w = 0
    x = 0
    y = 0
    z = 0

    temporary = []
    temporary.append(a)
    for j in range(len(c5_1对称点集)):
        if c5_1对称点集[j][0] == a:
            b = (int(c5_1对称点集[j][1]))
    for j in range(len(c5_2对称点集)):
        if c5_2对称点集[j][0] == a:
            c = (int(c5_2对称点集[j][1]))
    for j in range(len(c5_3对称点集)):
        if c5_3对称点集[j][0] == a:
            d = (int(c5_3对称点集[j][1]))
    for j in range(len(c5_4对称点集)):
        if c5_4对称点集[j][0] == a:
            e = (int(c5_4对称点集[j][1]))
    for j in range(len(d5_c2_1对称点集)):
        if d5_c2_1对称点集[j][0] == a:
            f = (int(d5_c2_1对称点集[j][1]))
    for j in range(len(d5_c2_2对称点集)):
        if d5_c2_2对称点集[j][0] == a:
            g = (int(d5_c2_2对称点集[j][1]))
    for j in range(len(d5_c2_3对称点集)):
        if d5_c2_3对称点集[j][0] == a:
            h = (int(d5_c2_3对称点集[j][1]))
    for j in range(len(d5_c2_4对称点集)):
        if d5_c2_4对称点集[j][0] == a:
            l = (int(d5_c2_4对称点集[j][1]))
    for j in range(len(d5_c2_5对称点集)):
        if d5_c2_5对称点集[j][0] == a:
            m = (int(d5_c2_5对称点集[j][1]))
    if b != 0 and c != 0 and d != 0 and e != 0 and f != 0 and g != 0 and h != 0 and l != 0 and m != 0:
        temporary.append(int(b))
        temporary.append(int(c))
        temporary.append(int(d))
        temporary.append(int(e))
        temporary.append(int(f))
        temporary.append(int(g))
        temporary.append(int(h))
        temporary.append(int(l))
        temporary.append(int(m))
        d5.append(temporary)

    b = 0
    c = 0
    d = 0
    e = 0
    f = 0
    g = 0
    h = 0
    l = 0
    m = 0
    n = 0
    o = 0
    p = 0
    q = 0
    r = 0
    s = 0
    t = 0
    u = 0
    v = 0
    w = 0
    x = 0
    y = 0
    z = 0

    temporary = []
    temporary.append(a)
    for j in range(len(c5_1对称点集)):
        if c5_1对称点集[j][0] == a:
            b = (int(c5_1对称点集[j][1]))
    for j in range(len(c5_2对称点集)):
        if c5_2对称点集[j][0] == a:
            c = (int(c5_2对称点集[j][1]))
    for j in range(len(c5_3对称点集)):
        if c5_3对称点集[j][0] == a:
            d = (int(c5_3对称点集[j][1]))
    for j in range(len(c5_4对称点集)):
        if c5_4对称点集[j][0] == a:
            e = (int(c5_4对称点集[j][1]))
    for j in range(len(d5d_s10对称点集)):
        if d5d_s10对称点集[j][0] == a:
            f = (int(d5d_s10对称点集[j][1]))
    for j in range(len(d5d_s10_2对称点集)):
        if d5d_s10_2对称点集[j][0] == a:
            g = (int(d5d_s10_2对称点集[j][1]))
    for j in range(len(d5d_s10_3对称点集)):
        if d5d_s10_3对称点集[j][0] == a:
            h = (int(d5d_s10_3对称点集[j][1]))
    for j in range(len(d5d_s10_4对称点集)):
        if d5d_s10_4对称点集[j][0] == a:
            l = (int(d5d_s10_4对称点集[j][1]))
    for j in range(len(d5d_c2_1对称点集)):
        if d5d_c2_1对称点集[j][0] == a:
            m = (int(d5d_c2_1对称点集[j][1]))
    for j in range(len(d5d_c2_2对称点集)):
        if d5d_c2_2对称点集[j][0] == a:
            n = (int(d5d_c2_2对称点集[j][1]))
    for j in range(len(d5d_c2_3对称点集)):
        if d5d_c2_3对称点集[j][0] == a:
            o = (int(d5d_c2_3对称点集[j][1]))
    for j in range(len(d5d_c2_4对称点集)):
        if d5d_c2_4对称点集[j][0] == a:
            p = (int(d5d_c2_4对称点集[j][1]))
    for j in range(len(d5d_c2_5对称点集)):
        if d5d_c2_5对称点集[j][0] == a:
            q = (int(d5d_c2_5对称点集[j][1]))
    for j in range(len(d5d_cs_1对称点集)):
        if d5d_cs_1对称点集[j][0] == a:
            r = (int(d5d_cs_1对称点集[j][1]))
    for j in range(len(d5d_cs_2对称点集)):
        if d5d_cs_2对称点集[j][0] == a:
            s = (int(d5d_cs_2对称点集[j][1]))
    for j in range(len(d5d_cs_3对称点集)):
        if d5d_cs_3对称点集[j][0] == a:
            t = (int(d5d_cs_3对称点集[j][1]))
    for j in range(len(d5d_cs_4对称点集)):
        if d5d_cs_4对称点集[j][0] == a:
            u = (int(d5d_cs_4对称点集[j][1]))
    for j in range(len(d5d_cs_5对称点集)):
        if d5d_cs_5对称点集[j][0] == a:
            v = (int(d5d_cs_5对称点集[j][1]))
    if b != 0 and c != 0 and d != 0 and e != 0 and f != 0 and g != 0 and h != 0 and l != 0 and m != 0 and n!=0 and o!=0 and p!=0 and q!=0 and r!=0 and s!=0 and t!=0 and u!=0 and v!=0:
        temporary.append(int(b))
        temporary.append(int(c))
        temporary.append(int(d))
        temporary.append(int(e))
        temporary.append(int(f))
        temporary.append(int(g))
        temporary.append(int(h))
        temporary.append(int(l))
        temporary.append(int(m))
        temporary.append(int(n))
        temporary.append(int(o))
        temporary.append(int(p))
        temporary.append(int(q))
        temporary.append(int(r))
        temporary.append(int(s))
        temporary.append(int(t))
        temporary.append(int(u))
        temporary.append(int(v))
        d5.append(temporary)
news_c2 = []
for id in c2:
    if id not in news_c2:
        news_c2.append(id)
print(f"c2:{news_c2}")
print(len(news_c2))
news_cs = []
for id in cs:
    if id not in news_cs:
        news_cs.append(id)
print(f"cs:{news_cs}")
print(len(news_cs))
news_ci = []
for id in ci:
    if id not in news_ci:
        news_ci.append(id)
print(f"ci:{news_ci}")
print(len(news_ci))
c5=remove_duplicate_plus(c5)
news_c5 = []
for id in c5:
    if id not in news_c5:
        news_c5.append(id)
print(f"c5:{news_c5}")
c5v=remove_duplicate_plus(c5v)
print(f"c5v:{c5v}")
d5=remove_duplicate_plus(d5)
print(f"d5:{d5}")
d5d=remove_duplicate_plus(d5d)
print(f"d5d:{d5d}")