In [1]:

    

import os
import sys
import random
import time
from random import seed, randint
import argparse
import platform
from datetime import datetime
import imp
import numpy as np
import fileinput
from itertools import product
import pandas as pd
from scipy.interpolate import griddata
from scipy.interpolate import interp2d
import seaborn as sns
from os import listdir
import scipy
import matplotlib.pyplot as plt
import seaborn as sns
from scipy.interpolate import griddata
import matplotlib as mpl
sys.path.insert(0,'..')
from notebookFunctions import *
# from .. import notebookFunctions

%matplotlib inline
plt.rcParams['figure.figsize'] = (10,6.180)    #golden ratio
# %matplotlib notebook
%load_ext autoreload
%autoreload 2


    

In [350]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/same_temp/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [353]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/same_temp_no_force/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [354]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/same_temp/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [355]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/same_temp_no_force/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [363]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [364]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [365]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [367]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"perturbation-3-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [368]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"perturbation-4-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

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In [369]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0_no_ss/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [372]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0_no_ss/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

    




../notebookFunctions.py:296: UserWarning: loadtxt: Empty input file: "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0_no_ss/perturbation-1-pmf-373.dat"
  data = np.loadtxt(location)






    




---------------------------------------------------------------------------
AxisError                                 Traceback (most recent call last)
<ipython-input-372-c6f8682057b6> in <module>()
      5 zmax=25
      6 res=40
----> 7 path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
      8 # print(getBound(location2, res=res, zmax=zmax))
      9 xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)

~/opt/notebook/notebookFunctions.py in shortest_path_2(location, temp, start, end, block, res, zmin, zmax, xlabel, ylabel, title, save, plot1d, plot2d)
    295 def shortest_path_2(location, temp="450", start=(4,5), end=-1, block=-1, res=30, zmin=0, zmax=30, xlabel="xlabel", ylabel="ylabel", title="AverageZ_Dis", save=False, plot1d=1, plot2d=True):
    296     data = np.loadtxt(location)
--> 297     xi, yi, zi = getxyz(data, res=res, zmin=zmin, zmax=zmax)
    298     zi = np.where(np.isnan(zi), 50, zi)
    299 

~/opt/notebook/notebookFunctions.py in getxyz(data, res, zmin, zmax, x, y, z, xmin, xmax, ymin, ymax)
    112 def getxyz(data, res=30, zmin=0, zmax=20, x=1, y=2, z=3, xmin=-1,xmax=-1,ymin=-1,ymax=-1):
    113     # data = np.where(np.isnan(data), zmax, data)
--> 114     data = data[~np.isnan(data).any(axis=1)]  # remove rows with nan
    115     if zmin == -1:
    116         zmin = data[:,3].min()

~/anaconda3/lib/python3.6/site-packages/numpy/core/_methods.py in _any(a, axis, dtype, out, keepdims)
     36 
     37 def _any(a, axis=None, dtype=None, out=None, keepdims=False):
---> 38     return umr_any(a, axis, dtype, out, keepdims)
     39 
     40 def _all(a, axis=None, dtype=None, out=None, keepdims=False):

AxisError: axis 1 is out of bounds for array of dimension 1

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In [ ]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 373
location = pre + "how_force_bias_added_4/_280-350/2d_zAverage_dis/force_0.0_no_ss/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

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In [351]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 370
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=2, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

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In [263]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy"
temp = 370
location = pre + "/second_half/_280-350/2d_zAverage_dis/force_0.1/"
location1 = location + f"perturbation-1-pmf-{temp}.dat"
pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy"
temp = 370
location = pre + "/first_half/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
plot2d_side_by_side(location1, location2, xlabel="Distance", ylabel="AverageZ", title1="first", title2="second")
plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/convergence_2d.png")


    

In [344]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 330
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.2/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin, _ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=1, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [342]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.2/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin, _ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=1, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [347]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/"
temp = 370
location = pre + "combined_more_force/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin,_ = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=0, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
# plt.xlim([20,280])
# plt.ylim([-25,10])


    

In [266]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(18, 30), end=(28,0),save=False, plot1d=0, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
plt.xlim([20,280])
plt.ylim([-25,10])


    

    
Out[266]:





(-25, 10)






    

In [269]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy"
temp = 370
location = pre + "/second_half/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin_second, f_origin_second = shortest_path_2(location2, start=(16, 30), end=(26,0), title="second_half_AverageZ_Dis",save=False, plot1d=0, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
plt.xlim([20,280])
plt.ylim([-25,10])


    

    
Out[269]:





(-25, 10)






    

In [271]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy"
temp = 370
location = pre + "/first_half/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-1-pmf-{temp}.dat"
zmax=25
res=40
path_origin_first, f_origin_first = shortest_path_2(location2, start=(22, 30), end=(33,0), title="first_half_AverageZ_Dis",save=False, plot1d=0, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)
plt.xlim([20,280])
plt.ylim([-25,10])


    

    
Out[271]:





(-25, 10)






    

In [273]:

    

len(f_origin_second)


    

    
Out[273]:





31

In [274]:

    

len(f_origin_first)


    

    
Out[274]:





31

In [275]:

    

len(f_origin)


    

    
Out[275]:





31

In [283]:

    

x_on_path = np.array(path_origin)
d = pd.DataFrame(data={"x":x_on_path, "y":f_origin})
# mean the dupliation
d = d.groupby("x").mean().reset_index().values
x_smooth = np.linspace(d[:,0].min(), d[:,0].max(), 200)
spl = scipy.interpolate.interp1d(d[:,0], d[:,1], kind="cubic")


    

In [284]:

    

x_on_path = np.array(path_origin_first)
d = pd.DataFrame(data={"x":x_on_path, "y":f_origin_first})
# mean the dupliation
d = d.groupby("x").mean().reset_index().values
x_smooth_first = np.linspace(d[:,0].min(), d[:,0].max(), 200)
spl_first = scipy.interpolate.interp1d(d[:,0], d[:,1], kind="cubic")


    

In [285]:

    

x_on_path = np.array(path_origin_second)
d = pd.DataFrame(data={"x":x_on_path, "y":f_origin_second})
# mean the dupliation
d = d.groupby("x").mean().reset_index().values
x_smooth_second = np.linspace(d[:,0].min(), d[:,0].max(), 200)
spl_second = scipy.interpolate.interp1d(d[:,0], d[:,1], kind="cubic")


    

In [287]:

    

plt.plot(x_smooth, spl(x_smooth), label="combined")
plt.plot(x_smooth_first, spl_first(x_smooth_first), label="first")
plt.plot(x_smooth_second, spl_second(x_smooth_second), label="second")
plt.legend()
plt.ylim(0,20)
plt.xlabel("End to end distance(Å)")
plt.ylabel("Free energy(kT)")
plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/convergence_1d.png")


    

In [276]:

    

plt.plot(x_smooth, spl(x_smooth), label="combined")
plt.plot(x_smooth, spl_first(x_smooth), label="first")
plt.plot(x_smooth, spl_second(x_smooth), label="second")
plt.legend()
plt.ylim(0,20)
plt.xlabel("End to end distance(Å)")
plt.ylabel("Free energy(kT)")
plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/convergence_1d.png")


    

In [335]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 330
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(18, 30), end=(29,1),save=False, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [150]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.1/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(18, 30), end=(29,1),save=False, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [3]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 390
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.0/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(18, 30), end=(29,1),save=False, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [4]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 360
location = pre + "/combined/_280-350/2d_zAverage_dis/force_0.2/"
location2 = location + f"pmf-{temp}.dat"
zmax=40
res=40
path_origin, f_origin = shortest_path_2(location2, start=(18, 30), end=(29,1),save=False, xlabel="Distance", ylabel="AverageZ", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [290]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/second_start_extended_combined_2/_280-350/56_z_dis/force_0.1/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(35,20), end=(3, 30),save=False, xlabel="Z_h56", ylabel="Dis56", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [11]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/second_start_extended_combined_2/_280-350/56_z_dis/force_0.1/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(35,20), end=(3, 30),save=False, xlabel="Z_h56", ylabel="Dis56", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [ ]:

    

"/Users/weilu/Research/server/aug_2018/02_week/freeEnergy/combined_more_force_fix_order/_280-350/56_z_dis/force_0.1/"


    

In [325]:

    

pre = "/Users/weilu/Research/server/aug_2018/02_week/freeEnergy"
temp = 370
location = pre + "/combined_more_force_fix_order/_280-350/56_z_dis/force_0.1/"
location1 = location + f"perturbation-1-pmf-{temp}.dat"
temp = 340
location = pre + "/combined_more_force_fix_order/_280-350/56_z_dis/force_0.1/"
location2 = location + f"pmf-{temp}.dat"
plot2d_side_by_side(location1, location2, xlabel="D_h56", ylabel="Z_h56", title1="with perturbation", title2="without perturbation")
# plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/56_2d_compare.png")


    

In [331]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/combined/_280-350/56_z_dis/force_0.1/"
location1 = location + f"perturbation-2-pmf-{temp}.dat"
temp = 340
location = pre + "/combined/_280-350/56_z_dis/force_0.1/"
location2 = location + f"pmf-{temp}.dat"
plot2d_side_by_side(location1, location2, xlabel="D_h56", ylabel="Z_h56", title1="with perturbation", title2="without perturbation")
plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/56_2d_compare.png")


    

In [333]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 340
location = pre + "/combined/_280-350/56_z_dis/force_0.1/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin_2, f_origin_2 = shortest_path_2(location2, start=(35,20), end=(3, 30),save=False, xlabel="Z_h56", ylabel="Dis56", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [311]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 370
location = pre + "/combined/_280-350/56_z_dis/force_0.1/"
location2 = location + f"perturbation-2-pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(33,20), end=(3, 30),save=False, xlabel="Z_h56", ylabel="Dis56", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [317]:

    

x = np.arange(len(f_origin))
x_smooth = np.linspace(x.min(), x.max(), 200)
spl = scipy.interpolate.interp1d(x, f_origin, kind="cubic")

plt.plot(x_smooth, spl(x_smooth), label="with perturbation")

spl_2 = scipy.interpolate.interp1d(x, f_origin_2, kind="cubic")
plt.plot(x_smooth, spl_2(x_smooth), label="without perturbation")
plt.legend()
plt.ylabel("Free energy(kT)")
plt.savefig("/Users/weilu/Dropbox/GlpG_paper_2018/figures/56_1d_compare")


    

In [306]:

    

len(f_origin_2)


    

    
Out[306]:





33

In [312]:

    

len(f_origin)


    

    
Out[312]:





33

In [302]:

    

plt.plot(f_origin_2)
plt.plot(f_origin)


    

    
Out[302]:





[<matplotlib.lines.Line2D at 0x1a5cf750f0>]






    

In [15]:

    

pre = "/Users/weilu/Research/server/aug_2018/01_week/freeEnergy"
temp = 340
location = pre + "/combined/_280-350/56_z_dis/force_0.0/"
location2 = location + f"pmf-{temp}.dat"
zmax=25
res=40
path_origin, f_origin = shortest_path_2(location2, start=(35,20), end=(3, 30),save=False, xlabel="Z_h56", ylabel="Dis56", zmax=zmax,res=res)
# print(getBound(location2, res=res, zmax=zmax))
xmin,xmax,ymin,ymax = getBound(location2, res=res, zmax=zmax)


    

In [2]:

    

data = pd.read_feather("/Users/weilu/Research/server/aug_2018/01_week/freeEnergy/all_data_folder/second_start_extended_combined_may19.feather")


    

In [21]:

    

data.query("TempT != 417 and DisReal > 50 \
           and DisReal < 63 and z_average < -2.5 and z_average > -3.5").\
        query("Lipid1 < -0.5 and Lipid7 <  -0.5").hist("TotalE",bins=50)


    

    
Out[21]:





array([[<matplotlib.axes._subplots.AxesSubplot object at 0x1a5d5d17f0>]], dtype=object)






    

In [5]:

    

a.columns


    

    
Out[5]:





Index(['level_0', 'AMH', 'AMH-Go', 'AMH_3H', 'AMH_4H', 'BiasTo', 'DisReal',
       'Dis_h56', 'Distance', 'Energy', 'Lipid', 'Lipid1', 'Lipid10',
       'Lipid11', 'Lipid12', 'Lipid13', 'Lipid14', 'Lipid15', 'Lipid2',
       'Lipid3', 'Lipid4', 'Lipid5', 'Lipid6', 'Lipid7', 'Lipid8', 'Lipid9',
       'Membrane', 'Qw', 'Rg', 'Run', 'Step', 'Temp', 'TempT', 'TotalE',
       'abs_z_average', 'index', 'rg1', 'rg2', 'rg3', 'rg4', 'rg5', 'rg6',
       'rg_all', 'z_average', 'z_h1', 'z_h2', 'z_h3', 'z_h4', 'z_h5', 'z_h6'],
      dtype='object')

In [61]:

    

data.query("TempT == 373 and BiasTo <= 110 and Step > 7e7")


    

    
Out[61]:







  

    

      

      
level_0
      
AMH
      
AMH-Go
      
AMH_3H
      
AMH_4H
      
BiasTo
      
DisReal
      
Dis_h56
      
Distance
      
Energy
      
...
      
rg5
      
rg6
      
rg_all
      
z_average
      
z_h1
      
z_h2
      
z_h3
      
z_h4
      
z_h5
      
z_h6
    
  
  

    

      
1040000
      
360000
      
-178.321133
      
-412.066149
      
-235.338918
      
-292.892214
      
86.0
      
79.004676
      
28.346208
      
34.986200
      
-714.949919
      
...
      
0.668179
      
1.034435
      
6.755773
      
-1.033087
      
2.494844
      
-4.841397
      
-3.889325
      
-8.467838
      
-5.754722
      
-4.876540
    
    

      
1040004
      
360004
      
-177.200623
      
-410.571989
      
-235.760741
      
-294.325427
      
86.0
      
83.372854
      
18.937570
      
40.892598
      
-722.068300
      
...
      
0.801884
      
1.374862
      
6.547033
      
-2.802593
      
0.773482
      
-9.611948
      
-6.093863
      
-9.556687
      
-7.412869
      
-4.627857
    
    

      
1040008
      
360008
      
-180.879480
      
-407.788823
      
-235.803323
      
-294.257476
      
86.0
      
89.521842
      
22.380344
      
46.390928
      
-709.820249
      
...
      
0.645107
      
2.179880
      
7.059012
      
-2.171087
      
1.730007
      
-7.565345
      
-5.411125
      
-9.619961
      
-7.155922
      
-3.403780
    
    

      
1040012
      
360012
      
-171.128915
      
-409.410718
      
-233.914608
      
-289.781585
      
86.0
      
83.579512
      
21.361462
      
38.329813
      
-702.409638
      
...
      
0.808295
      
1.102991
      
6.581213
      
-0.585338
      
3.456519
      
-5.765632
      
-2.172227
      
-7.773421
      
-3.901099
      
-3.266604
    
    

      
1040016
      
360016
      
-171.690895
      
-401.386354
      
-231.802732
      
-283.413267
      
86.0
      
81.770035
      
25.603405
      
36.290812
      
-666.730519
      
...
      
0.890132
      
1.092686
      
6.349323
      
-0.737092
      
4.747721
      
-7.508631
      
-2.545017
      
-8.130889
      
-5.948760
      
-2.941567
    
    

      
1040020
      
360020
      
-175.212562
      
-411.063653
      
-238.114432
      
-294.465943
      
86.0
      
77.052335
      
23.153542
      
45.458047
      
-669.801538
      
...
      
0.653753
      
0.887969
      
5.381157
      
-2.722350
      
-0.396683
      
-6.997332
      
-3.931108
      
-10.986878
      
-8.555905
      
-6.895371
    
    

      
1040024
      
360024
      
-175.051816
      
-412.711876
      
-238.117980
      
-294.301467
      
86.0
      
74.364323
      
23.750555
      
34.865682
      
-692.663837
      
...
      
0.777575
      
1.194753
      
5.701887
      
-2.527804
      
-2.874243
      
-7.025268
      
-4.092978
      
-8.792953
      
-5.815720
      
-4.356905
    
    

      
1040028
      
360028
      
-175.528304
      
-416.805217
      
-237.790195
      
-291.876143
      
86.0
      
80.122468
      
24.758321
      
30.863065
      
-685.537891
      
...
      
1.139500
      
1.076961
      
6.526219
      
-1.517133
      
0.844767
      
-8.072552
      
-3.069387
      
-9.641124
      
-3.768143
      
-5.261024
    
    

      
1040032
      
360032
      
-181.120685
      
-412.380862
      
-238.466680
      
-295.650334
      
86.0
      
86.451046
      
24.091012
      
45.483044
      
-729.879618
      
...
      
1.204523
      
1.043938
      
5.959973
      
-1.920873
      
2.254641
      
-8.315136
      
-5.301401
      
-10.772393
      
-4.227035
      
-5.493539
    
    

      
1040036
      
360036
      
-178.814269
      
-416.989089
      
-239.063277
      
-299.583833
      
86.0
      
79.699798
      
28.826969
      
54.038287
      
-676.019765
      
...
      
0.761742
      
1.273970
      
7.347845
      
-1.006030
      
1.550467
      
-6.880606
      
-4.333249
      
-8.250059
      
-7.076709
      
-3.398288
    
    

      
1040040
      
360040
      
-176.391959
      
-400.183354
      
-231.084472
      
-288.985686
      
86.0
      
82.508970
      
21.816418
      
59.951966
      
-717.737985
      
...
      
0.893372
      
1.590578
      
7.466062
      
-1.061339
      
-0.482857
      
-5.617197
      
-3.676639
      
-8.151255
      
-6.530324
      
-2.009296
    
    

      
1040044
      
360044
      
-173.127191
      
-407.211710
      
-233.486166
      
-290.528843
      
86.0
      
89.073286
      
19.509020
      
61.372443
      
-732.020460
      
...
      
0.888663
      
1.403316
      
6.374586
      
-3.019790
      
-2.001518
      
-9.246640
      
-5.224385
      
-10.428687
      
-6.205725
      
-4.419867
    
    

      
1040048
      
360048
      
-176.159288
      
-407.148601
      
-235.147875
      
-292.618584
      
86.0
      
84.169299
      
20.751592
      
58.872895
      
-658.352557
      
...
      
1.406614
      
1.060973
      
8.238610
      
-1.921348
      
-0.921587
      
-5.368779
      
-4.396217
      
-7.841318
      
-5.161096
      
-4.431059
    
    

      
1040052
      
360052
      
-170.038768
      
-399.880548
      
-228.766385
      
-288.757755
      
86.0
      
80.844108
      
24.695191
      
54.629178
      
-679.401083
      
...
      
1.049406
      
0.712622
      
5.815108
      
-0.935673
      
3.467459
      
-7.610551
      
-3.679222
      
-8.930749
      
-4.574644
      
-4.715171
    
    

      
1040056
      
360056
      
-175.358559
      
-410.868341
      
-237.888724
      
-293.781247
      
86.0
      
81.896552
      
29.124802
      
47.401280
      
-666.541728
      
...
      
0.775782
      
0.951432
      
5.729818
      
-0.689007
      
5.821621
      
-8.154914
      
-3.963428
      
-9.973349
      
-3.317898
      
-6.159056
    
    

      
1040060
      
360060
      
-173.799222
      
-408.879832
      
-234.117546
      
-286.423280
      
86.0
      
78.737365
      
27.334346
      
38.533985
      
-706.780273
      
...
      
0.753349
      
1.672872
      
6.416538
      
-0.531145
      
2.205442
      
-7.684658
      
-2.714931
      
-7.985872
      
-3.132108
      
-4.434411
    
    

      
1040064
      
360064
      
-181.488187
      
-421.780140
      
-245.059600
      
-303.228605
      
86.0
      
82.443252
      
27.788711
      
43.035056
      
-698.986005
      
...
      
0.728864
      
1.973502
      
7.123840
      
-2.191063
      
-0.662584
      
-8.252737
      
-3.265645
      
-9.899119
      
-6.600647
      
-3.667702
    
    

      
1040068
      
360068
      
-179.589811
      
-430.280836
      
-241.887834
      
-300.967252
      
86.0
      
89.178602
      
27.827319
      
46.411033
      
-689.978286
      
...
      
0.656411
      
1.600334
      
7.017798
      
-3.347456
      
-3.696312
      
-10.186573
      
-3.769876
      
-11.217579
      
-8.287199
      
-4.838538
    
    

      
1040072
      
360072
      
-172.521207
      
-422.922929
      
-234.609442
      
-294.265890
      
86.0
      
83.961348
      
27.631373
      
51.670522
      
-726.118718
      
...
      
1.446974
      
0.812705
      
5.930572
      
-2.954025
      
-6.443165
      
-6.644847
      
-4.787638
      
-10.387694
      
-6.738329
      
-6.330282
    
    

      
1040076
      
360076
      
-170.824914
      
-403.499904
      
-228.189896
      
-282.589280
      
86.0
      
89.758417
      
31.261850
      
60.175974
      
-687.180015
      
...
      
1.139087
      
0.961599
      
6.194648
      
-2.848726
      
-2.545971
      
-7.447305
      
-7.438930
      
-9.736082
      
-3.829788
      
-6.344437
    
    

      
1040080
      
360080
      
-172.353224
      
-417.926752
      
-234.880431
      
-290.191957
      
86.0
      
83.621083
      
24.833195
      
62.062661
      
-717.918247
      
...
      
0.792342
      
1.044773
      
6.816250
      
-2.658299
      
1.223716
      
-8.967760
      
-4.845812
      
-10.239304
      
-5.225054
      
-5.782689
    
    

      
1040084
      
360084
      
-169.062843
      
-402.589216
      
-229.412124
      
-284.619397
      
86.0
      
92.735613
      
23.712617
      
64.805045
      
-659.914007
      
...
      
0.621149
      
1.815832
      
8.079380
      
-2.138903
      
1.251279
      
-10.091001
      
-2.956303
      
-9.662481
      
-9.629761
      
-3.507532
    
    

      
1040088
      
360088
      
-166.263324
      
-397.886794
      
-227.395698
      
-281.576073
      
86.0
      
84.646715
      
24.955095
      
49.642607
      
-689.141098
      
...
      
0.732721
      
2.464527
      
9.348828
      
-1.416447
      
1.779372
      
-8.370172
      
-1.761939
      
-9.114509
      
-5.580449
      
-4.205461
    
    

      
1040092
      
360092
      
-167.332323
      
-410.173596
      
-227.515182
      
-281.436701
      
86.0
      
87.072746
      
23.972244
      
50.353858
      
-709.219305
      
...
      
0.586615
      
1.172001
      
6.513027
      
-1.603906
      
-0.796512
      
-7.491999
      
-3.433567
      
-8.355756
      
-8.771330
      
-3.805017
    
    

      
1040096
      
360096
      
-171.630686
      
-418.551968
      
-237.619118
      
-294.737442
      
86.0
      
89.672098
      
22.233028
      
47.692004
      
-703.749847
      
...
      
0.624688
      
1.326772
      
6.375756
      
-2.064348
      
-2.380637
      
-8.491368
      
-1.961614
      
-10.468627
      
-7.508679
      
-4.598695
    
    

      
1040100
      
360100
      
-156.536762
      
-402.638659
      
-226.041474
      
-282.129511
      
86.0
      
88.169635
      
24.976922
      
53.151127
      
-715.129270
      
...
      
1.039153
      
1.394437
      
7.792985
      
-1.478542
      
-0.803532
      
-8.203470
      
-2.130952
      
-9.678299
      
-6.178723
      
-3.905886
    
    

      
1040104
      
360104
      
-169.927578
      
-415.630097
      
-238.227771
      
-292.854323
      
86.0
      
80.709913
      
26.526297
      
41.992529
      
-683.099433
      
...
      
0.967620
      
1.381514
      
8.716215
      
-0.627672
      
1.767935
      
-6.814654
      
-1.853433
      
-9.084486
      
-5.837010
      
-3.313316
    
    

      
1040108
      
360108
      
-171.596814
      
-421.522543
      
-240.124993
      
-293.557808
      
86.0
      
86.650605
      
25.637778
      
48.912595
      
-692.121311
      
...
      
0.739439
      
1.233560
      
7.896235
      
-1.828815
      
-2.209892
      
-7.936734
      
-2.929359
      
-8.707512
      
-5.800156
      
-4.395571
    
    

      
1040112
      
360112
      
-170.300754
      
-421.634321
      
-238.065194
      
-297.333886
      
86.0
      
88.891380
      
26.061075
      
56.995997
      
-740.098528
      
...
      
0.796858
      
1.510952
      
6.735176
      
-2.946861
      
-5.387177
      
-8.767923
      
-3.590466
      
-10.129330
      
-7.490393
      
-3.741897
    
    

      
1040116
      
360116
      
-175.875351
      
-422.493165
      
-244.371422
      
-300.027082
      
86.0
      
87.809170
      
29.832796
      
52.464183
      
-712.005605
      
...
      
0.855994
      
1.553571
      
8.318154
      
-3.597512
      
-4.986482
      
-9.995631
      
-4.223783
      
-10.116652
      
-7.974839
      
-6.354995
    
    

      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
    
    

      
1399880
      
719880
      
-167.873191
      
-420.317560
      
-234.366110
      
-293.893035
      
102.0
      
105.129832
      
26.922379
      
-8.712567
      
-721.452942
      
...
      
0.810585
      
0.995656
      
6.468342
      
-1.896878
      
-0.249820
      
-7.773691
      
-3.274044
      
-8.895507
      
-8.024724
      
-5.321279
    
    

      
1399884
      
719884
      
-178.802889
      
-439.933693
      
-246.790750
      
-303.078149
      
102.0
      
96.474555
      
25.804714
      
1.041885
      
-715.812440
      
...
      
0.713994
      
0.910584
      
6.355773
      
-1.407569
      
-0.557523
      
-6.844717
      
-4.834720
      
-8.198662
      
-6.040549
      
-3.976762
    
    

      
1399888
      
719888
      
-176.863627
      
-437.054123
      
-243.442273
      
-304.619946
      
102.0
      
102.404041
      
26.591604
      
8.756516
      
-759.546484
      
...
      
0.651169
      
1.673616
      
8.724481
      
-2.599015
      
-3.983663
      
-7.726893
      
-3.029118
      
-9.552410
      
-9.200229
      
-5.517792
    
    

      
1399892
      
719892
      
-176.208997
      
-427.695444
      
-242.080839
      
-299.354508
      
102.0
      
94.204510
      
19.900871
      
13.362841
      
-722.241615
      
...
      
0.634370
      
1.355714
      
7.859970
      
-2.626734
      
-3.505683
      
-8.760510
      
-1.678004
      
-9.650746
      
-7.864757
      
-4.706013
    
    

      
1399896
      
719896
      
-175.488458
      
-430.201979
      
-243.006790
      
-304.148260
      
102.0
      
97.815834
      
25.025367
      
-5.390786
      
-711.899063
      
...
      
0.684174
      
2.067361
      
8.206639
      
-2.767956
      
0.732283
      
-9.867537
      
-4.426434
      
-10.633748
      
-6.037644
      
-5.849769
    
    

      
1399900
      
719900
      
-177.767288
      
-429.752719
      
-244.980743
      
-303.460656
      
102.0
      
86.266374
      
23.054795
      
-0.025271
      
-757.041062
      
...
      
0.949211
      
1.296958
      
7.096959
      
-2.199023
      
1.546567
      
-10.118112
      
-3.953230
      
-10.776679
      
-6.370534
      
-4.728151
    
    

      
1399904
      
719904
      
-172.165504
      
-410.013523
      
-236.884910
      
-294.103756
      
102.0
      
94.096201
      
26.288277
      
-16.917646
      
-703.475483
      
...
      
1.752571
      
2.406353
      
9.733213
      
-1.902741
      
-1.495095
      
-8.550650
      
-4.205672
      
-9.204814
      
-6.287052
      
-3.421558
    
    

      
1399908
      
719908
      
-168.292244
      
-417.785675
      
-232.192267
      
-292.145625
      
102.0
      
92.532087
      
26.133086
      
-8.232180
      
-690.272283
      
...
      
1.512481
      
1.629408
      
7.417447
      
-2.307195
      
-5.164502
      
-9.473234
      
-3.299571
      
-9.819056
      
-1.422691
      
-3.805257
    
    

      
1399912
      
719912
      
-174.844517
      
-429.255487
      
-242.624453
      
-303.818717
      
102.0
      
93.009973
      
27.600176
      
6.248464
      
-716.991288
      
...
      
0.835384
      
1.795459
      
7.996992
      
-1.128325
      
-2.886495
      
-6.338056
      
0.080677
      
-9.413851
      
-3.291499
      
-4.038922
    
    

      
1399916
      
719916
      
-171.157617
      
-419.741687
      
-233.307850
      
-292.824429
      
102.0
      
87.286915
      
22.543370
      
-8.500810
      
-707.557635
      
...
      
0.795607
      
1.386610
      
7.316347
      
-1.623106
      
0.628509
      
-6.943735
      
-1.168389
      
-7.851464
      
-8.789331
      
-4.253531
    
    

      
1399920
      
719920
      
-176.924966
      
-425.104031
      
-240.719726
      
-296.888741
      
102.0
      
103.103851
      
24.226896
      
-18.898382
      
-701.659721
      
...
      
0.546435
      
1.898461
      
8.101888
      
-2.418715
      
0.914652
      
-8.192813
      
-4.518817
      
-10.448267
      
-8.766651
      
-5.033113
    
    

      
1399924
      
719924
      
-179.619157
      
-433.953855
      
-247.269573
      
-302.448105
      
102.0
      
97.640849
      
25.236140
      
-6.973110
      
-710.993057
      
...
      
0.790202
      
0.882058
      
6.749890
      
-2.768696
      
-0.352342
      
-10.536011
      
-4.440945
      
-9.610149
      
-7.435535
      
-5.353405
    
    

      
1399928
      
719928
      
-168.807795
      
-420.215204
      
-236.145046
      
-293.984978
      
102.0
      
99.478372
      
30.185217
      
-12.988214
      
-711.364696
      
...
      
0.790430
      
1.153922
      
6.390102
      
-2.253980
      
-0.549764
      
-7.266207
      
-4.704123
      
-10.206608
      
-4.987632
      
-5.638974
    
    

      
1399932
      
719932
      
-176.620854
      
-416.787586
      
-238.986422
      
-294.790658
      
102.0
      
88.785668
      
25.917881
      
-14.103072
      
-722.311156
      
...
      
1.354204
      
1.265060
      
7.871237
      
-1.394978
      
-0.433176
      
-7.187144
      
-3.488160
      
-9.590172
      
-2.172991
      
-5.683134
    
    

      
1399936
      
719936
      
-176.110274
      
-428.249885
      
-242.227502
      
-300.997032
      
102.0
      
101.455216
      
29.682117
      
-6.394470
      
-754.493209
      
...
      
0.854150
      
1.019850
      
6.411265
      
-1.451188
      
-0.719805
      
-5.824830
      
-3.691924
      
-9.331727
      
-5.030478
      
-4.300115
    
    

      
1399940
      
719940
      
-179.083509
      
-423.793892
      
-241.575534
      
-297.512667
      
102.0
      
97.549209
      
25.600382
      
-8.995992
      
-729.385310
      
...
      
0.823946
      
1.002124
      
7.344599
      
-1.238961
      
-0.695822
      
-5.542229
      
-2.449473
      
-7.766112
      
-5.554014
      
-3.534813
    
    

      
1399944
      
719944
      
-174.740001
      
-430.785428
      
-240.747522
      
-295.247062
      
102.0
      
98.193574
      
24.649803
      
-20.969052
      
-710.228212
      
...
      
0.776585
      
2.530289
      
9.866398
      
-1.054915
      
-1.585248
      
-7.295722
      
-0.935876
      
-7.634522
      
-4.610581
      
-1.762488
    
    

      
1399948
      
719948
      
-182.358432
      
-436.363036
      
-246.521078
      
-303.498691
      
102.0
      
100.526931
      
25.893450
      
-14.689841
      
-727.148151
      
...
      
0.691536
      
1.693629
      
8.425749
      
-0.688771
      
0.815369
      
-7.753703
      
-1.970145
      
-7.611946
      
-4.526404
      
-2.527664
    
    

      
1399952
      
719952
      
-174.866835
      
-433.599151
      
-237.823821
      
-300.991038
      
102.0
      
98.364889
      
24.566608
      
-16.862624
      
-719.232667
      
...
      
0.905176
      
1.185738
      
7.615932
      
-0.638713
      
3.500591
      
-5.843704
      
-1.634829
      
-8.872617
      
-5.318635
      
-4.348143
    
    

      
1399956
      
719956
      
-180.320241
      
-425.319689
      
-246.272825
      
-303.566914
      
102.0
      
98.591834
      
24.481151
      
-13.504563
      
-734.152998
      
...
      
0.886513
      
0.906708
      
9.292772
      
-0.912170
      
0.571090
      
-5.721099
      
-1.153354
      
-8.805731
      
-5.241378
      
-2.621888
    
    

      
1399960
      
719960
      
-173.639013
      
-425.426029
      
-240.314975
      
-298.637223
      
102.0
      
104.498741
      
27.214486
      
-21.697987
      
-705.291143
      
...
      
0.751882
      
1.468870
      
7.140713
      
-0.769137
      
-1.390923
      
-7.066251
      
-1.790164
      
-7.914039
      
-2.396733
      
-2.916757
    
    

      
1399964
      
719964
      
-176.342983
      
-430.065827
      
-241.872734
      
-297.662800
      
102.0
      
94.601480
      
24.014857
      
-20.152523
      
-757.699291
      
...
      
1.578374
      
0.790147
      
7.283029
      
-0.831442
      
-1.645917
      
-4.860872
      
-2.568839
      
-7.431155
      
-2.523078
      
-3.777256
    
    

      
1399968
      
719968
      
-174.801217
      
-417.709223
      
-241.060070
      
-297.178644
      
102.0
      
92.608063
      
28.177941
      
-30.349731
      
-739.351893
      
...
      
0.901874
      
1.002961
      
8.198290
      
-1.806930
      
0.094815
      
-6.692053
      
-5.498560
      
-10.311017
      
-3.362237
      
-5.599222
    
    

      
1399972
      
719972
      
-178.725030
      
-423.488574
      
-243.998078
      
-302.548105
      
102.0
      
96.554771
      
25.599314
      
-14.953278
      
-768.801626
      
...
      
0.670990
      
1.274940
      
6.721008
      
-2.466561
      
4.213255
      
-9.400574
      
-6.523701
      
-10.939101
      
-6.741168
      
-6.460690
    
    

      
1399976
      
719976
      
-175.134080
      
-424.742064
      
-237.100356
      
-298.576695
      
102.0
      
92.634826
      
25.750346
      
4.858877
      
-734.720144
      
...
      
0.725933
      
1.079715
      
5.953475
      
-2.298796
      
3.355892
      
-8.055047
      
-4.292885
      
-10.894707
      
-5.941350
      
-5.975201
    
    

      
1399980
      
719980
      
-180.838873
      
-422.128821
      
-243.769311
      
-300.386956
      
102.0
      
100.590423
      
22.496298
      
-0.025247
      
-734.805861
      
...
      
0.778388
      
1.248211
      
6.998108
      
-2.384341
      
-0.510537
      
-7.444899
      
-3.000111
      
-10.165996
      
-5.424914
      
-4.879895
    
    

      
1399984
      
719984
      
-182.677336
      
-431.877114
      
-249.875599
      
-305.882569
      
102.0
      
85.560026
      
24.179652
      
8.871215
      
-730.945732
      
...
      
0.628557
      
1.485071
      
7.052195
      
-1.286153
      
-0.547296
      
-6.717355
      
-0.715170
      
-8.234139
      
-6.267730
      
-2.602707
    
    

      
1399988
      
719988
      
-187.890123
      
-446.317112
      
-257.119450
      
-314.595805
      
102.0
      
100.997173
      
20.662907
      
9.305860
      
-750.598109
      
...
      
0.776280
      
1.549393
      
7.889488
      
-1.488352
      
-2.559167
      
-7.074563
      
-1.225270
      
-9.301677
      
-4.545633
      
-3.928111
    
    

      
1399992
      
719992
      
-169.386925
      
-413.082833
      
-233.157375
      
-288.669058
      
102.0
      
96.031979
      
26.280834
      
3.976283
      
-749.949139
      
...
      
1.543018
      
1.300873
      
8.176069
      
-1.709614
      
-1.889524
      
-8.307254
      
-3.298733
      
-8.742325
      
-4.117646
      
-3.367814
    
    

      
1399996
      
719996
      
-177.297319
      
-423.665643
      
-239.064086
      
-296.990102
      
102.0
      
87.471225
      
25.817823
      
2.633153
      
-732.767353
      
...
      
1.145461
      
0.718796
      
7.150671
      
-2.570168
      
-1.718925
      
-8.955210
      
-6.736448
      
-10.122350
      
-1.541202
      
-6.733705
    
  

90000 rows × 50 columns

In [60]:

    

data.query("TempT == 373 and BiasTo <= 110 and Step <= 7e7")


    

    
Out[60]:







  

    

      

      
level_0
      
AMH
      
AMH-Go
      
AMH_3H
      
AMH_4H
      
BiasTo
      
DisReal
      
Dis_h56
      
Distance
      
Energy
      
...
      
rg5
      
rg6
      
rg_all
      
z_average
      
z_h1
      
z_h2
      
z_h3
      
z_h4
      
z_h5
      
z_h6
    
  
  

    

      
680000
      
0
      
-178.627890
      
-433.576377
      
-246.583490
      
-305.298335
      
86.0
      
77.046868
      
26.215912
      
-62.043353
      
-692.687622
      
...
      
0.673049
      
0.919396
      
5.798037
      
-2.513710
      
0.375505
      
-9.194752
      
-5.344894
      
-10.214853
      
-8.348931
      
-6.222135
    
    

      
680004
      
4
      
-175.587111
      
-437.778327
      
-244.343016
      
-306.057510
      
86.0
      
84.641804
      
28.340007
      
-69.407894
      
-698.237107
      
...
      
1.344175
      
0.593261
      
6.502283
      
-1.902340
      
-0.608567
      
-5.746729
      
-5.571338
      
-9.711419
      
-4.282059
      
-7.395059
    
    

      
680008
      
8
      
-165.881609
      
-423.144257
      
-234.028768
      
-292.861082
      
86.0
      
74.876910
      
25.385569
      
-64.309426
      
-749.615666
      
...
      
1.215953
      
0.602852
      
8.183012
      
-1.017174
      
0.798023
      
-5.607535
      
-4.058465
      
-7.780378
      
-2.954611
      
-5.257975
    
    

      
680012
      
12
      
-167.368034
      
-414.262203
      
-234.216790
      
-291.858831
      
86.0
      
81.477400
      
26.715844
      
-68.012403
      
-726.209605
      
...
      
0.865621
      
0.713431
      
7.213472
      
-1.083818
      
-0.083613
      
-6.680219
      
-3.086740
      
-7.537329
      
-2.432568
      
-4.509047
    
    

      
680016
      
16
      
-168.401126
      
-419.798745
      
-235.924695
      
-289.758702
      
86.0
      
86.972885
      
26.873403
      
-71.062836
      
-741.797971
      
...
      
0.672385
      
1.019587
      
6.424920
      
-1.817486
      
0.078821
      
-9.732506
      
-2.095835
      
-8.339287
      
-4.815011
      
-4.539695
    
    

      
680020
      
20
      
-168.417105
      
-414.268271
      
-234.798836
      
-293.403483
      
86.0
      
80.572839
      
26.894212
      
-65.131907
      
-708.509981
      
...
      
0.640655
      
1.520420
      
8.424260
      
-3.195074
      
-0.529479
      
-11.319999
      
-4.137169
      
-9.983859
      
-10.795163
      
-4.576906
    
    

      
680024
      
24
      
-177.606832
      
-426.642247
      
-244.850904
      
-302.197238
      
86.0
      
82.270854
      
24.647507
      
-55.766106
      
-738.639350
      
...
      
1.323559
      
1.055352
      
8.960091
      
-2.046927
      
-0.972552
      
-10.169295
      
-2.807205
      
-9.228246
      
-7.467926
      
-4.107037
    
    

      
680028
      
28
      
-180.459864
      
-439.735869
      
-247.435036
      
-305.428322
      
86.0
      
80.314097
      
28.569759
      
-55.298821
      
-746.464243
      
...
      
1.037181
      
1.447303
      
7.319102
      
-1.941985
      
0.159153
      
-8.898918
      
-4.028470
      
-10.119860
      
-3.383570
      
-4.982699
    
    

      
680032
      
32
      
-179.267787
      
-428.128942
      
-245.639078
      
-305.704172
      
86.0
      
79.921998
      
27.595099
      
-56.501167
      
-721.621219
      
...
      
0.533845
      
1.046649
      
6.232830
      
-2.497712
      
-3.990375
      
-7.887636
      
-4.144892
      
-7.916204
      
-6.313308
      
-5.585080
    
    

      
680037
      
37
      
-173.709175
      
-429.203682
      
-239.784664
      
-296.327575
      
86.0
      
86.673514
      
25.572349
      
-59.753635
      
-761.847772
      
...
      
0.937518
      
1.643031
      
8.069047
      
-1.070941
      
2.749444
      
-7.096093
      
-2.850150
      
-7.746216
      
-8.232665
      
-2.537201
    
    

      
680041
      
41
      
-181.397849
      
-433.267174
      
-249.133542
      
-308.396115
      
86.0
      
79.996530
      
28.375501
      
-54.671080
      
-745.754904
      
...
      
0.693941
      
1.000800
      
6.559898
      
-0.901434
      
6.300291
      
-7.198008
      
-3.387504
      
-8.760150
      
-9.301067
      
-4.664306
    
    

      
680045
      
45
      
-170.807903
      
-421.794452
      
-239.953114
      
-299.399897
      
86.0
      
83.761704
      
24.508192
      
-62.021529
      
-713.617567
      
...
      
0.905674
      
1.666285
      
6.670916
      
-1.748091
      
2.727831
      
-6.584626
      
-3.977139
      
-10.557416
      
-8.990149
      
-5.821967
    
    

      
680049
      
49
      
-174.072632
      
-430.605965
      
-240.470971
      
-300.495133
      
86.0
      
73.249581
      
23.858677
      
-52.663421
      
-705.741769
      
...
      
0.585151
      
1.419662
      
7.087266
      
-2.898799
      
0.720171
      
-8.395684
      
-4.299279
      
-10.138884
      
-11.377393
      
-5.262938
    
    

      
680053
      
53
      
-183.067988
      
-437.526326
      
-250.709100
      
-310.138039
      
86.0
      
72.544445
      
25.152731
      
-50.433734
      
-706.165128
      
...
      
0.737501
      
1.894636
      
8.132551
      
-3.272633
      
0.264180
      
-10.463897
      
-4.868414
      
-11.806258
      
-6.519880
      
-5.494872
    
    

      
680057
      
57
      
-177.646594
      
-433.073194
      
-244.586170
      
-304.116005
      
86.0
      
73.771414
      
24.894960
      
-54.685395
      
-734.101419
      
...
      
0.783258
      
1.755530
      
7.922873
      
-2.367993
      
1.205303
      
-9.326395
      
-3.872550
      
-10.071499
      
-6.623933
      
-5.584688
    
    

      
680061
      
61
      
-169.310992
      
-426.334393
      
-239.982226
      
-303.932144
      
86.0
      
81.416961
      
23.663510
      
-58.574001
      
-708.929448
      
...
      
0.711684
      
1.565314
      
8.137151
      
-0.475804
      
5.401942
      
-7.602438
      
-1.565347
      
-8.983180
      
-5.946696
      
-4.219178
    
    

      
680065
      
65
      
-177.864410
      
-421.762013
      
-243.662276
      
-304.457596
      
86.0
      
80.005193
      
25.738388
      
-59.950871
      
-684.808634
      
...
      
0.792590
      
1.677071
      
6.842383
      
0.405313
      
4.268532
      
-4.901514
      
-2.497166
      
-7.558315
      
-2.870232
      
-2.851323
    
    

      
680069
      
69
      
-172.807236
      
-428.844653
      
-241.376326
      
-302.052337
      
86.0
      
73.603326
      
25.711705
      
-46.012294
      
-675.262390
      
...
      
0.919871
      
1.127971
      
7.832089
      
-0.577113
      
-0.398513
      
-7.433651
      
-2.227880
      
-7.791227
      
-3.741178
      
-4.226190
    
    

      
680073
      
73
      
-167.891197
      
-415.284718
      
-235.025349
      
-290.018233
      
86.0
      
83.588321
      
24.813961
      
-55.251722
      
-689.008759
      
...
      
0.912846
      
1.012170
      
6.319360
      
-0.568639
      
-0.208993
      
-5.149064
      
-3.772533
      
-7.574200
      
-4.056595
      
-4.296551
    
    

      
680077
      
77
      
-162.291277
      
-411.818137
      
-230.988379
      
-287.053193
      
86.0
      
80.464139
      
26.929268
      
-46.048159
      
-697.164945
      
...
      
1.071982
      
1.116906
      
6.311088
      
-1.196534
      
-0.312192
      
-6.356926
      
-2.366787
      
-9.199642
      
-4.291848
      
-5.000103
    
    

      
680081
      
81
      
-174.351006
      
-421.494358
      
-239.134631
      
-292.957119
      
86.0
      
79.439663
      
27.102657
      
-48.887673
      
-736.042247
      
...
      
0.977467
      
1.327099
      
8.167270
      
-2.008897
      
0.087121
      
-8.881415
      
-3.045696
      
-9.379493
      
-4.155787
      
-5.592324
    
    

      
680085
      
85
      
-177.668803
      
-417.377477
      
-243.759642
      
-296.566328
      
86.0
      
82.652477
      
22.444409
      
-49.844887
      
-735.276987
      
...
      
0.783558
      
1.000792
      
6.778545
      
-2.515193
      
-0.128088
      
-9.244176
      
-4.760495
      
-9.639853
      
-7.447561
      
-4.580941
    
    

      
680089
      
89
      
-170.622078
      
-420.756207
      
-239.300694
      
-295.801134
      
86.0
      
86.789300
      
23.942679
      
-46.994700
      
-706.319657
      
...
      
1.064017
      
0.707098
      
7.070533
      
-2.351125
      
-1.998373
      
-7.659630
      
-5.944035
      
-9.695609
      
-4.381162
      
-5.726317
    
    

      
680093
      
93
      
-178.343307
      
-421.983700
      
-243.039196
      
-302.234251
      
86.0
      
82.592678
      
24.320193
      
-41.912411
      
-707.593309
      
...
      
1.585929
      
0.626126
      
7.159592
      
-1.349485
      
-0.287048
      
-7.193812
      
-5.174934
      
-7.923904
      
-2.544830
      
-5.202762
    
    

      
680097
      
97
      
-183.970071
      
-432.755516
      
-251.294367
      
-311.180009
      
86.0
      
82.764819
      
25.270548
      
-44.786741
      
-723.897059
      
...
      
1.563171
      
1.128001
      
6.891107
      
-0.525293
      
-0.439146
      
-6.472813
      
-2.793318
      
-8.493326
      
-1.417257
      
-3.670667
    
    

      
680101
      
101
      
-181.122797
      
-425.271404
      
-246.880812
      
-305.869600
      
86.0
      
75.380470
      
23.064550
      
-37.575314
      
-746.296837
      
...
      
0.736561
      
0.932424
      
6.588177
      
0.865909
      
-1.704513
      
-5.339777
      
-1.178962
      
-6.558756
      
2.258882
      
-1.328502
    
    

      
680105
      
105
      
-180.206489
      
-424.616331
      
-246.547665
      
-306.768218
      
86.0
      
81.266168
      
28.625813
      
-48.479376
      
-745.692735
      
...
      
0.715490
      
0.883699
      
6.410821
      
0.250736
      
-0.356335
      
-4.643974
      
-3.902111
      
-8.199770
      
1.614698
      
-3.876967
    
    

      
680109
      
109
      
-172.906230
      
-412.476227
      
-237.808950
      
-296.737280
      
86.0
      
81.735155
      
18.555755
      
-35.748195
      
-703.960340
      
...
      
1.156780
      
0.906065
      
6.108166
      
-1.095344
      
2.199232
      
-4.167308
      
-6.339922
      
-9.905547
      
-0.427039
      
-6.459992
    
    

      
680113
      
113
      
-171.647892
      
-408.875219
      
-235.051976
      
-292.107571
      
86.0
      
87.379765
      
23.612524
      
-40.831087
      
-665.479968
      
...
      
1.336964
      
1.264103
      
6.339313
      
-1.192798
      
2.695925
      
-7.097114
      
-7.526562
      
-8.968586
      
-2.133536
      
-3.966697
    
    

      
680117
      
117
      
-174.045988
      
-416.049367
      
-239.766936
      
-296.387199
      
86.0
      
83.026696
      
26.190441
      
-38.081751
      
-696.329919
      
...
      
0.838896
      
1.841936
      
7.086207
      
-0.475587
      
1.592877
      
-5.852673
      
-4.647440
      
-9.344295
      
-2.161598
      
-4.365486
    
    

      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
      
...
    
    

      
1039881
      
359881
      
-169.239872
      
-413.033116
      
-230.686340
      
-289.735055
      
102.0
      
95.984580
      
27.621016
      
-9.346732
      
-677.882277
      
...
      
0.671354
      
1.823187
      
7.990326
      
-1.379964
      
2.144891
      
-7.582088
      
-1.625324
      
-8.021491
      
-9.883906
      
-1.968718
    
    

      
1039885
      
359885
      
-173.367835
      
-405.071555
      
-232.862340
      
-292.065083
      
102.0
      
99.692142
      
30.073374
      
-14.314371
      
-678.642007
      
...
      
1.275475
      
2.466391
      
9.432734
      
-2.194855
      
-1.999249
      
-7.464181
      
-1.035693
      
-8.906041
      
-9.055224
      
-3.508659
    
    

      
1039889
      
359889
      
-176.303736
      
-417.281231
      
-234.936407
      
-289.201397
      
102.0
      
99.148833
      
25.608730
      
-7.449356
      
-683.783742
      
...
      
1.147920
      
1.244300
      
6.173977
      
-2.636067
      
-4.112425
      
-6.420534
      
-3.271775
      
-9.848532
      
-7.434615
      
-5.775168
    
    

      
1039893
      
359893
      
-163.628783
      
-411.919935
      
-224.253288
      
-283.050245
      
102.0
      
99.405306
      
29.041790
      
-13.900390
      
-663.330040
      
...
      
0.975502
      
1.406572
      
6.835516
      
-2.512110
      
-2.777126
      
-6.824069
      
-6.077053
      
-10.970709
      
-2.851308
      
-6.064603
    
    

      
1039897
      
359897
      
-168.257874
      
-413.422018
      
-230.645297
      
-291.518717
      
102.0
      
95.561047
      
24.087333
      
-9.490940
      
-732.149183
      
...
      
1.525397
      
1.170476
      
8.409282
      
-1.649929
      
-1.426113
      
-7.991750
      
-5.051505
      
-8.522498
      
-4.043999
      
-3.878205
    
    

      
1039901
      
359901
      
-177.974412
      
-425.347136
      
-240.932171
      
-300.326284
      
102.0
      
96.305442
      
25.336245
      
-2.036311
      
-753.295849
      
...
      
0.769295
      
2.050509
      
8.409934
      
-2.019804
      
-2.508578
      
-8.566508
      
-6.415799
      
-8.738057
      
-4.427827
      
-4.187574
    
    

      
1039905
      
359905
      
-179.190689
      
-425.528126
      
-240.585283
      
-295.908878
      
102.0
      
99.847300
      
25.787226
      
-10.374205
      
-748.401726
      
...
      
0.599896
      
1.339053
      
7.056772
      
-3.470978
      
-3.305609
      
-9.394947
      
-5.749868
      
-10.530456
      
-7.386127
      
-5.603244
    
    

      
1039909
      
359909
      
-178.218801
      
-416.635587
      
-239.261869
      
-295.500880
      
102.0
      
99.583698
      
26.875357
      
-15.581626
      
-728.727858
      
...
      
0.749134
      
1.068308
      
7.616512
      
-2.973647
      
-0.504898
      
-8.724683
      
-4.619878
      
-10.676332
      
-6.257319
      
-4.945323
    
    

      
1039913
      
359913
      
-178.953121
      
-419.440076
      
-239.278653
      
-299.822897
      
102.0
      
89.165316
      
28.356262
      
-13.370268
      
-710.547645
      
...
      
1.290556
      
1.737041
      
7.840020
      
-1.244672
      
-1.415577
      
-6.971477
      
-2.950651
      
-8.262340
      
-2.847371
      
-3.658438
    
    

      
1039917
      
359917
      
-173.441204
      
-409.254842
      
-231.917506
      
-288.187509
      
102.0
      
93.312722
      
30.087831
      
7.816019
      
-715.505952
      
...
      
0.848778
      
1.675915
      
7.436919
      
-0.895941
      
1.244742
      
-7.114721
      
-2.753456
      
-9.019173
      
-5.459730
      
-4.335111
    
    

      
1039921
      
359921
      
-174.806170
      
-408.246567
      
-233.899199
      
-288.568305
      
102.0
      
96.920838
      
25.821360
      
4.092448
      
-743.271538
      
...
      
0.721228
      
1.245744
      
6.327796
      
-0.351639
      
3.051987
      
-8.676523
      
-3.783378
      
-9.125128
      
-0.170538
      
-3.359203
    
    

      
1039925
      
359925
      
-168.087047
      
-404.697750
      
-228.428761
      
-284.440149
      
102.0
      
100.128369
      
29.943892
      
-12.580401
      
-730.936655
      
...
      
1.842634
      
1.141949
      
7.721007
      
-0.363450
      
2.297855
      
-6.050486
      
-3.931842
      
-7.396489
      
-1.019142
      
-2.818748
    
    

      
1039929
      
359929
      
-178.916261
      
-405.899629
      
-237.923707
      
-290.418746
      
102.0
      
97.259258
      
27.223855
      
-4.891240
      
-698.966987
      
...
      
1.231746
      
0.889718
      
6.382003
      
-0.977020
      
-0.573819
      
-6.946696
      
-3.895578
      
-8.170539
      
0.710521
      
-3.879402
    
    

      
1039933
      
359933
      
-169.653175
      
-413.829651
      
-230.412329
      
-285.353883
      
102.0
      
103.907426
      
28.947607
      
6.664458
      
-707.601641
      
...
      
1.176690
      
0.890388
      
6.129500
      
-0.608457
      
1.630646
      
-5.648146
      
-3.014991
      
-8.074527
      
-3.119182
      
-3.375126
    
    

      
1039937
      
359937
      
-173.629583
      
-419.801237
      
-234.806579
      
-293.125175
      
102.0
      
102.801680
      
29.825732
      
0.190055
      
-730.931830
      
...
      
0.803408
      
0.979405
      
6.363360
      
-1.043789
      
0.813990
      
-5.572890
      
-3.004035
      
-9.127406
      
-3.026240
      
-4.892954
    
    

      
1039941
      
359941
      
-180.188729
      
-428.495728
      
-240.385059
      
-297.204968
      
102.0
      
102.263158
      
28.502926
      
-3.809436
      
-737.507822
      
...
      
0.908107
      
1.084273
      
6.901306
      
-2.670474
      
0.534170
      
-8.999436
      
-3.928166
      
-9.139948
      
-6.104955
      
-6.145196
    
    

      
1039945
      
359945
      
-178.307059
      
-426.040099
      
-234.770656
      
-294.651040
      
102.0
      
101.973266
      
21.791867
      
-2.923736
      
-731.573368
      
...
      
0.612827
      
1.424400
      
7.769424
      
-1.972635
      
0.405628
      
-6.493241
      
-1.461140
      
-8.731377
      
-7.699118
      
-3.129820
    
    

      
1039949
      
359949
      
-173.347063
      
-409.228025
      
-232.777315
      
-287.061660
      
102.0
      
103.597654
      
24.556797
      
-0.844272
      
-714.285182
      
...
      
1.011601
      
0.790632
      
8.224482
      
-1.296231
      
-0.879212
      
-3.310151
      
-1.787665
      
-8.339322
      
-7.503532
      
-3.544181
    
    

      
1039953
      
359953
      
-171.475403
      
-423.306233
      
-236.225505
      
-293.913908
      
102.0
      
102.410311
      
25.988150
      
-8.273680
      
-718.817108
      
...
      
0.913065
      
1.262877
      
7.530533
      
-0.990788
      
-0.802732
      
-4.559889
      
-0.056861
      
-8.824918
      
-4.529091
      
-5.190863
    
    

      
1039957
      
359957
      
-181.631833
      
-422.081632
      
-237.960353
      
-296.745791
      
102.0
      
100.915875
      
31.948672
      
-9.916686
      
-713.958768
      
...
      
0.846685
      
1.981801
      
8.412854
      
-1.972628
      
0.671762
      
-7.325692
      
-2.189688
      
-9.003449
      
-5.600492
      
-5.004449
    
    

      
1039961
      
359961
      
-174.770106
      
-419.978088
      
-233.766735
      
-293.042033
      
102.0
      
100.051339
      
29.284660
      
-8.308492
      
-687.055711
      
...
      
0.831791
      
1.557256
      
8.042489
      
-2.219613
      
0.380828
      
-6.737694
      
-4.229779
      
-10.743524
      
-6.970310
      
-5.360754
    
    

      
1039965
      
359965
      
-178.985048
      
-426.663102
      
-240.921031
      
-296.657055
      
102.0
      
97.727851
      
24.715379
      
-16.269113
      
-678.623430
      
...
      
0.609036
      
1.527498
      
9.623195
      
-1.815603
      
3.842891
      
-11.082882
      
-4.149377
      
-8.828145
      
-6.927817
      
-3.926058
    
    

      
1039969
      
359969
      
-178.940993
      
-429.915660
      
-245.497712
      
-304.266948
      
102.0
      
96.528897
      
25.793271
      
-25.240799
      
-745.690927
      
...
      
0.687096
      
0.965144
      
8.043665
      
-1.972490
      
2.906697
      
-11.069062
      
-4.491108
      
-9.793612
      
-7.205021
      
-4.727670
    
    

      
1039973
      
359973
      
-184.314223
      
-432.160385
      
-250.043999
      
-306.266919
      
102.0
      
96.091114
      
27.162615
      
-21.846878
      
-716.285218
      
...
      
0.905849
      
1.412171
      
8.098941
      
-3.266625
      
-0.446121
      
-11.476785
      
-4.109162
      
-11.044577
      
-7.557792
      
-5.462893
    
    

      
1039977
      
359977
      
-174.645152
      
-428.749954
      
-241.790681
      
-301.429550
      
102.0
      
95.127612
      
25.509348
      
-21.965203
      
-774.693623
      
...
      
0.705616
      
1.907915
      
8.028019
      
-2.776243
      
-2.399044
      
-9.554361
      
-3.592264
      
-10.932354
      
-5.936771
      
-4.545451
    
    

      
1039981
      
359981
      
-181.245089
      
-423.393076
      
-242.664172
      
-302.065294
      
102.0
      
101.979511
      
24.168312
      
-17.915273
      
-707.059251
      
...
      
1.034243
      
1.442296
      
8.100239
      
-1.267996
      
-1.574603
      
-7.737187
      
-2.784066
      
-8.322691
      
-4.212866
      
-2.931605
    
    

      
1039985
      
359985
      
-175.217267
      
-418.320723
      
-237.621589
      
-293.396097
      
102.0
      
94.386763
      
26.006032
      
-14.385936
      
-696.254965
      
...
      
1.492716
      
0.924952
      
7.316786
      
-1.006404
      
-0.983456
      
-5.109014
      
-5.278706
      
-7.726409
      
-1.513513
      
-3.922319
    
    

      
1039989
      
359989
      
-176.322303
      
-429.435074
      
-243.878019
      
-302.619012
      
102.0
      
88.548041
      
26.798391
      
-13.027291
      
-732.505308
      
...
      
1.302437
      
1.194976
      
7.267441
      
-2.330793
      
-0.528921
      
-7.459661
      
-5.732551
      
-10.648159
      
-4.678821
      
-5.815536
    
    

      
1039993
      
359993
      
-180.651135
      
-431.770086
      
-249.533822
      
-308.599899
      
102.0
      
96.081604
      
23.434877
      
-13.058938
      
-661.833093
      
...
      
0.752290
      
1.805562
      
7.402320
      
-3.510906
      
-0.324711
      
-10.935088
      
-7.082180
      
-11.357075
      
-7.603796
      
-6.286676
    
    

      
1039997
      
359997
      
-172.312386
      
-425.814856
      
-239.663534
      
-299.506622
      
102.0
      
86.075258
      
25.938455
      
-17.258269
      
-736.048442
      
...
      
0.582028
      
1.226384
      
6.116850
      
-3.357511
      
-2.255255
      
-8.453330
      
-4.815731
      
-10.568172
      
-8.156458
      
-5.416252
    
  

90000 rows × 50 columns

In [65]:

    

part1 = pd.concat([data.query("BiasTo <= 110 and Step > 7e7"),data.query("BiasTo > 110 and Step > 5.5e7")])


    

In [66]:

    

part2 = pd.concat([data.query("BiasTo <= 110 and Step <= 7e7"),data.query("BiasTo > 110 and Step <= 5.5e7")])


    

In [121]:

    

part1.reset_index(drop=True).to_feather("/Users/weilu/Research/server/aug_2018/01_week/freeEnergy/all_data_folder/part1.feather")


    

In [122]:

    

part2.reset_index(drop=True).to_feather("/Users/weilu/Research/server/aug_2018/01_week/freeEnergy/all_data_folder/part2.feather")


    

In [98]:

    

data_topology = pd.read_feather("/Volumes/Wei_backup/GlpG/may_2018_back/03_week/all_data_folder/second_start_topologyrerun_5_20_May_231514.feather")