Code_0344

import numpy as np
import matplotlib.pyplot as plt
import matplotlib.mlab as mlab
import math
import pandas as pd
from pylab import *
import csv

def N(y):
    BF = np.zeros(len(y))
    i=0
    q=0
    while i < len(y):
        BF[i] = math.exp((-y[i])/(k*t))*n
        q = q + BF[i]/n
        i = i+1
    return BF/q, q

def BF(i):
    i=0
    while i< len(y0+1):
        i=i+1
        print BF[i]

def make_plot(y_list):
    fig = plt.figure()
    for i in range(0,3):
        for j in range(0,3):
            y = y_list[j*3+i]
            BF,q = N(y)
            ax = fig.add_subplot(3,3,j*3+i+1)
            Phi = np.arange(-180,+166, 15)
            ax.plot(Phi, y, 'o-r', lw=2)
            ax.set_xlim([-180,166])
            #ax.set_xlabel('\'Torsion angle')
            # Make the y-axis label and tick labels match the line color.
            #ax.set_ylabel('Energy kcal/mol', color='r')
            for tl in ax.get_yticklabels():
                tl.set_color('r')

            ax0b = ax.twinx()
            ax0b.plot(Phi, BF, 'sb-')
            plt.fill_between(Phi,BF,0,alpha='0.25')
            ax0b.set_xlim([-180,166])
            #ax0b.set_ylabel('Pop%', color='b')
            for tl in ax0b.get_yticklabels():
                tl.set_color('b')
            plt.show()

#Variables and Boltzmann Constant:
k=0.00199
t=298.15
n=100.0

#************************************--------------****************************
#.............................((((Creating Figures)))).........................
#************************************--------------****************************


afile = open('~/Desktop/GSK_Rel_Energ.csv', 'r+')


y=[]

for line in afile:
    Temp= line.strip().split(",")
    numbers = []
    for num in Temp:
        num = num.replace("[", "").replace("]", "")
        numbers.append(float(num))
    y.append(numbers)

ilist = range(0,9)

figure(1, figsize=(3, 3))
title('Figures(0-8)', bbox={'facecolor': '0.8', 'pad': 5})
make_plot([y[i] for i in ilist])