packing_fraction.py
f855cb73c1c5main

packing_fraction.py
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			# Compute packing fraction for each confinement pressure

			import matplotlib.pyplot as plt
			import os

			path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'

			def pack_fra(path):

			with open(path + '/box_confined.data') as f:
			lines = f.readlines()

			nb_p = int(lines[2].split()[0])

			xlo = float(lines[5].split()[0])
			xhi = float(lines[5].split()[1])
			ylo = float(lines[6].split()[0])
			yhi = float(lines[6].split()[1])
			vol = (xhi - xlo)*(yhi - ylo)

			vol_p_tot = 0
			for line in lines[11:nb_p+11]:
			radius = float(line.split()[2])/2
			vol_p = 3.14(radius)*2
			vol_p_tot += vol_p

			frac = vol_p_tot / vol
			return frac

			subfolds = [x[0] for x in os.walk(path)][1:]

			plt.figure(figsize=(8,6))

			values = {}

			pressures = []
			fractions = []

			for current_path in subfolds:
			pressures.append(int(current_path.split('/')[-1][2:-2])/1000)
			fractions.append(pack_fra(current_path))

			print(pressures)
			print(fractions)

			plt.plot(pressures,fractions,'.')
			plt.xlabel('Confinement pressure [kPa]')
			plt.ylabel('Packing density')
			plt.show()