コード例 #1
0
                #print("love")
                four_filtered_voxels.append((i, j, k))

            if lower2 <= ori_lig[i, j, k] <= higher2 and lower3 <= trans_lig[
                    i, j, k] <= higher3 and lower4 <= O_lig[i, j,
                                                            k] <= higher4:
                three_filtered_voxels.append((i, j, k))

            if lower1 <= E_ww_lig[i, j, k] <= higher1:

                one_filtered_voxels.append((i, j, k))

import matplotlib.pyplot as plt

plt.subplot(121)
plt.hist(E_ww_lig.reshape(-1),
         bins=100,
         color="blue",
         label="restrained_single_water")
plt.xlabel("Eww-dens")
plt.legend()

plt.subplot(122)

plt.hist(Eww_bulk.reshape(-1), bins=100, color="orange", label="pure water")
plt.xlabel("Eww-dens")

plt.legend()

plt.tight_layout()
plt.show()