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dsc_plot.py
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#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Tue Dec 18 18:58:51 2018
@author: chiappisil
File where the functions used to plot all the data are stored.
"""
import matplotlib.pyplot as plt
from matplotlib import gridspec
import numpy as np
import os
plt.rcParams['text.usetex'] = False
def plot_raw_data(files, data, params, filename):
''' Plots the raw_data'''
print('\n', 15*'*', 'Plotting the raw data', 15*'*')
# print(params)
def applyPlotStyle(title, idx):
if params['unit_temp'] == 'degC':
axes[idx[0], idx[1]].set_xlabel('Temperature / °C')
if params['unit_temp'] == 'K':
axes[idx[0], idx[1]].set_xlabel('Temperature / K')
if params['unit_power'] == 'uW':
axes[idx[0], idx[1]].set_ylabel('Heat flow / 10$^{-6}$ W')
elif params['unit_power'] == 'mW':
axes[idx[0], idx[1]].set_ylabel('Heat flow / 10$^{-3}$ W')
elif params['unit_power'] == 'W':
axes[idx[0], idx[1]].set_ylabel('Heat flow / W')
axes[idx[0], idx[1]].set_title(title)
#axes[idx[0], idx[1]].legend(loc='upper left')
if params['Exo_in_plot'] is True:
if params['Input'] == 'exo-down':
axes[idx[0], idx[1]].annotate('Exo-down', xy=(0.1, 0.05), xytext=(0.1, 0.25), xycoords = 'axes fraction',
arrowprops=dict(arrowstyle='->'),
horizontalalignment='center')
if params['Input'] == 'exo-up':
axes[idx[0], idx[1]].annotate('Exo-up', xy=(0.1, 0.25), xytext=(0.1, 0.05), xycoords = 'axes fraction',
arrowprops=dict(arrowstyle='->'),
horizontalalignment='center')
fig, axes= plt.subplots(nrows=2, ncols=3, figsize=(16/1.1,9/1.1))
idx = [0,0]
applyPlotStyle('Buffer Heating', idx)
for i in files['B_heating']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
idx = [0,1]
applyPlotStyle('EC Heating', idx)
for i in files['EC_heating']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
idx = [0,2]
applyPlotStyle('Sample Heating', idx)
for i in files['S_heating']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
idx = [1,0]
applyPlotStyle('Buffer Cooling', idx)
for i in files['B_cooling']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
idx = [1,1]
applyPlotStyle('EC Cooling', idx)
for i in files['EC_cooling']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
idx = [1,2]
applyPlotStyle('Sample Cooling', idx)
for i in files['S_cooling']:
axes[idx[0], idx[1]].plot(data[i][1,:], data[i][2,:], label=i)
axes[idx[0], idx[1]].legend()
filename = os.path.join(os.path.join(params['Folder'],'Output'), filename + '_Rawdata.pdf')
plt.tight_layout()
plt.savefig(filename)
plt.close(fig)
def plot_corrected_data(files, data, params, filename):
''' Plots the corrected data'''
print('\n', 15*'*', 'Plots the corrected data', 15*'*')
def applyPlotStyle(title, idx, Mw = True):
ax.set_xlabel('Temperature / °C')
ax.set_ylabel('Heat capacity / J K$^{-1}$')
ax.set_title(title)
#ax.legend(loc='upper left')
def plot(ax, data, file, Mw = True):
ax.plot(data[file][1,:], data[file][2,:]/np.average(data[file][4,:])/1000, '--bo', markersize=3, linewidth=1, label=file)
N = len(data)
cols = int(np.ceil(np.sqrt(N)))
rows = int(np.ceil(N/cols)) if cols > 0 else 1
gs = gridspec.GridSpec(rows, cols)
fig = plt.figure(figsize=(cols*4.5, rows*4.5))
i = 0
for file in sorted(data):
ax = fig.add_subplot(gs[i])
applyPlotStyle(file, ax, Mw = 'Mw' in params)
plot(ax, data, file, Mw = 'Mw' in params)
i+= 1
filename = os.path.join(os.path.join(params['Folder'],'Output'), filename + '_Corrected_data.pdf')
gs.tight_layout(fig)
plt.savefig(filename)
plt.close(fig)
def plot_final_data(files, data, params, filename):
''' Plots the final data'''
print('\n', 15*'*', 'Plots the final data', 15*'*')
def applyPlotStyle(title, idx, kJ, Mw = True):
ax.set_xlabel('Temperature / °C')
if Mw:
if kJ == True:
ax.set_ylabel('Heat capacity / kJ K$^{-1}$ mol$^{-1}$')
else:
ax.set_ylabel('Heat capacity / J K$^{-1}$ mol$^{-1}$')
else:
if kJ == True:
ax.set_ylabel('Heat capacity / kJ K$^{-1}$ g$^{-1}$')
else:
ax.set_ylabel('Heat capacity / J K$^{-1}$ g$^{-1}$')
ax.set_title(title)
if params['Exo_in_plot'] is True:
if params['Output'] == 'exo-down':
ax.annotate('Exo-down', xy=(0.1, 0.05), xytext=(0.1, 0.25), xycoords = 'axes fraction',
arrowprops=dict(arrowstyle='->'),
horizontalalignment='center')
if params['Output'] == 'exo-up':
ax.annotate('Exo-up', xy=(0.1, 0.25), xytext=(0.1, 0.05), xycoords = 'axes fraction',
arrowprops=dict(arrowstyle='->'),
horizontalalignment='center')
#ax.legend(loc='upper left')
def plot(ax, data, file, kJ, Mw = True):
if Mw:
if kJ:
ax.plot(data[file][:,0], data[file][:,1]/1e3)
ax.annotate('DH = {:0.3g} kJ/mol'.format(data[file][-1,5]/1e3), xy=(0.65, 0.15), xycoords='axes fraction')
else:
ax.plot(data[file][:,0], data[file][:,1])
ax.annotate('DH = {:0.3g} J/mol'.format(data[file][-1,5]), xy=(0.65, 0.15), xycoords='axes fraction')
else:
if kJ:
ax.plot(data[file][:,0], data[file][:,1]/1e3)
ax.annotate('DH = {:0.3g} kJ/g'.format(data[file][-1,5]/1e3), xy=(0.70, 0.15), xycoords='axes fraction')
else:
ax.plot(data[file][:,0], data[file][:,1])
ax.annotate('DH = {:0.3g} J/g'.format(data[file][-1,5]), xy=(0.70, 0.15), xycoords='axes fraction')
#ax.annotate('{}'.format(params['Output'][0]), xy=(0.80, 0.05), xycoords='axes fraction')
#ax.arrow( 0.1, 0.1, 0.0, 0.2, fc="k", ec="k", head_width=0.05, head_length=0.1, xycoords='axes fraction' )
N = len(data)
cols = int(np.ceil(np.sqrt(N)))
rows = int(np.ceil(N/cols)) if cols > 0 else 1
gs = gridspec.GridSpec(rows, cols)
fig = plt.figure(figsize=(cols*4.5, rows*4.5))
i = 0
for file in sorted(data):
ax = fig.add_subplot(gs[i])
kJ = max(abs(data[file][:,1])) > 1000 #if the maximum of the data is larger than 1000 J/g or J/mol, data are plotted in kJ/g or kJ/mol.
applyPlotStyle(file, ax, kJ, Mw = 'Mw' in params)
plot(ax, data, file, kJ, Mw = 'Mw' in params)
i+= 1
filename = os.path.join(os.path.join(params['Folder'],'Output'), filename + '_Final_data.pdf')
gs.tight_layout(fig)
plt.savefig(filename)
plt.close(fig)
def plot_uncut_data(files, data, params, sample):
def applyPlotStyle(title, ax1, ax2, Mw = True):
ax1.set_xlabel('Temperature / °C')
if Mw:
ax1.set_ylabel('Heat capacity (heating) / J K$^{-1}$ mol$^{-1}$')
ax2.set_ylabel('Heat capacity (cooling) / J K$^{-1}$ mol$^{-1}$')
else:
ax1.set_ylabel('Heat capacity (heating) / J K$^{-1}$ g$^{-1}$')
ax2.set_ylabel('Heat capacity (cooling) / J K$^{-1}$ g$^{-1}$')
ax1.set_title(title)
ax1.yaxis.label.set_color('red')
ax1.tick_params(axis='y', colors='red')
ax2.yaxis.label.set_color('blue')
ax2.tick_params(axis='y', colors='blue')
fig, ax1 = plt.subplots(1,1,figsize=(7,4))
ax2 = ax1.twinx() # instantiate a second axes that shares the same x-axis
applyPlotStyle(sample, ax1, ax2, Mw = 'Mw' in params)
for file in sorted(data):
if file in files['S_heating']:
ax1.plot(data[file][:,0], data[file][:,1], color='red')
if file in files['S_cooling']:
ax2.plot(data[file][:,0], data[file][:,1], color='blue')
filename = os.path.join(os.path.join(params['Folder'],'Output'), sample + '_uncut_data.pdf')
plt.tight_layout()
plt.savefig(filename)
plt.close(fig)
def plot_baseline_data(files, data, params, filename):
''' Plots the baseline corrected data'''
print('\n', 15*'*', 'Plots the baseline corrected data', 15*'*')
def applyPlotStyle(title, idx, Mw = True):
ax.set_xlabel('Temperature / °C')
if Mw:
ax.set_ylabel('Heat capacity / J K$^{-1}$ mol$^{-1}$')
else:
ax.set_ylabel('Heat capacity / J K$^{-1}$ g$^{-1}$')
ax.set_title(title)
#ax.legend(loc='upper left')
def plot(ax, data, file, Mw = True):
ax.plot(data[file][:,0], data[file][:,2], linestyle = '-' )
ax.plot(data[file][:,0], data[file][:,3], linestyle = '-.', color='#ff7f0e')
ax.fill_between(data[file][:,0], data[file][:,3]-data[file][:,4], data[file][:,3]+data[file][:,4], alpha=0.4 , color='#ff7f0e')
# ax.fill_between(data[file][:,0], data[file][:,3]+data[file][:,4], alpha=0.4)
if file in files['S_heating']:
ax.axvspan(float(params['ROI_h'][0]), float(params['ROP_h'][0]), facecolor='#a9a9a9', alpha=0.5)
ax.axvspan(float(params['ROI_h'][1]), float(params['ROP_h'][1]), facecolor='#a9a9a9', alpha=0.5)
if file in files['S_cooling']:
ax.axvspan(float(params['ROI_c'][0]), float(params['ROP_c'][0]), facecolor='#a9a9a9', alpha=0.5)
ax.axvspan(float(params['ROI_c'][1]), float(params['ROP_c'][1]), facecolor='#a9a9a9', alpha=0.5)
#ax.axvspan(58.0, 60.0, facecolor='g', alpha=0.5)
N = len(data)
cols = int(np.ceil(np.sqrt(N)))
rows = int(np.ceil(N/cols)) if cols > 0 else 1
gs = gridspec.GridSpec(rows, cols)
fig = plt.figure(figsize=(cols*4.5, rows*4.5))
i = 0
for file in sorted(data):
ax = fig.add_subplot(gs[i])
applyPlotStyle(file, ax, Mw = 'Mw' in params)
plot(ax, data, file, Mw = 'Mw' in params)
i+= 1
gs.tight_layout(fig)
filename = os.path.join(os.path.join(params['Folder'],'Output'), filename + '_Baseline_data.pdf')
plt.savefig(filename)
plt.close(fig)
def plot_alpha(files, data, params, filename):
''' Plots the degree of conversion for all data'''
print('\n', 15*'*', 'Plots the degree of conversion for all data', 15*'*')
#ax.legend(loc='upper left')
fig, ax = plt.subplots()
ax.set_ylabel('α')
ax.set_xlabel('Temperature / °C')
for file in sorted(data):
if file in files['S_cooling']:
ax.plot(data[file][:,0], 1-data[file][:,5]/data[file][-1,5], label=file)
else:
ax.plot(data[file][:,0], data[file][:,5]/data[file][-1,5], label=file)
plt.legend()
filename = os.path.join(os.path.join(params['Folder'],'Output'), filename + '_alpha.pdf')
plt.savefig(filename)
plt.close(fig)