# coding: utf-8
#!/usr/bin/env python

from __future__ import division

'''
Script for plotting cross sections generated by FEFF found in xmu.dat files
'''

__author__ = "Alan Dozier"
__credits__= "Anubhav Jain, Shyue Ping Ong"
__copyright__ = "Copyright 2012, The Materials Project"
__version__ = "1.0.2"
__maintainer__ = "Alan Dozier"
__email__ = "adozier@uky.edu"
__date__ = "April 7, 2013"

import argparse

from pymatgen.io.feffio import Xmu
from pymatgen.util.plotting_utils import get_publication_quality_plot

parser = argparse.ArgumentParser(description='''Convenient DOS Plotter for Feff runs.
Author: Alan Dozier
Version: 1.0
Last updated: April, 2013''')

parser.add_argument('filename', metavar='filename', type=str, nargs=1,
                    help='xmu file to plot')
parser.add_argument('filename1', metavar='filename1', type=str, nargs=1,
                    help='feff.inp filename to import')

plt = get_publication_quality_plot(12, 8)
color_order = ['r', 'b', 'g', 'c', 'k', 'm', 'y']

args = parser.parse_args()
xmu = Xmu.from_file(args.filename[0], args.filename1[0])

data = xmu.to_dict

plt.title(data['calc'] + ' Feff9.6 Calculation for ' + data['atom'] + ' in ' +
          data['formula'] + ' unit cell')
plt.xlabel('Energies (eV)')
plt.ylabel('Absorption Cross-section')

x = data['energies']
y = data['scross']
tle = 'Single ' + data['atom'] + ' ' + data['edge'] + ' edge'
plt.plot(x, y, color_order[1 % 7], label=tle)

y = data['across']
tle = data['atom'] + ' ' + data['edge'] + ' edge in ' + data['formula']
plt.plot(x, y, color_order[2 % 7], label=tle)

plt.legend()
leg = plt.gca().get_legend()
ltext = leg.get_texts()  # all the text.Text instance in the legend
plt.setp(ltext, fontsize=15)
plt.tight_layout()
plt.show()
