コード例 #1
0
def linear_test():
    file = "comTraj.npz"
    L,com_lipids,com_chol = trajIO.decompress(file)

    control = displacement.block_displacement(L,com_lipids)
    control1 = control[:,:,3]

    test = displacement.linear_displacement(L,control,0,100)
    test1 = test[:,:,3]
    print(test1.shape)

    for t in range(46):
        boo = (test1[t] == control1[t])
        print(boo.all())

    print("hi")

    for t in [46,92]:
        boo = (test1[t] != control1[t])
        print(boo.all())
コード例 #2
0
                                    clusters[i], L[t], cutoff)

                        if time == 1:
                            alpha, beta = dc.meanRandom(
                                original[layer], L[t], cutoff, Nparticles)
                            logNorm[size][i] += alpha
                            logWeighted[size][i] += beta

    #linear
    #linearNorm = linearWeighted =

    for block in range(Nblock):
        start = block * nlog
        linear_t = displacement.linear_gen(start, Nconf)

        com_lipids = displacement.linear_displacement(L, com_lipids, start,
                                                      Nconf)

        for time in linear_t:
            #print(start,time)
            t = start + time

            upper, lower = trajIO.layering(com_lipids[t])
            original = {}
            original['upper'] = upper
            original['lower'] = lower

            for layer in ['upper', 'lower']:
                #clustering
                clusters = percentages.cluster(original[layer], percentage)

                for size in cluster_sizes:
コード例 #3
0
            t = start + time

            for size in cluster_sizes:

                upper_chol, lower_chol = trajIO.layering(com_chol[t])

                clusters[block][time]['chol']['upper'][
                    size] = jenks_clusters.clusters(upper_chol, size)
                clusters[block][time]['chol']['lower'][
                    size] = jenks_clusters.clusters(lower_chol, size)

    for block in range(Nblock):
        start = block * nlog
        linear_t = displacement.linear_gen(start, Nconf)

        com_chol = displacement.linear_displacement(L, com_chol, start, Nconf)

        for time in linear_t:
            t = start + time

            for size in cluster_sizes:
                upper_chol, lower_chol = trajIO.layering(com_chol[t])

                clusters[block][time]['chol']['upper'][
                    size] = jenks_clusters.clusters(upper_chol, size)
                clusters[block][time]['chol']['lower'][
                    size] = jenks_clusters.clusters(lower_chol, size)

    output = "clusters_chol.dict"
    f = open(output, "wb")