Source code for pymatgen.apps.battery.plotter

# coding: utf-8
# Copyright (c) Pymatgen Development Team.
# Distributed under the terms of the MIT License.

This module provides plotting capabilities for battery related applications.

__author__ = "Shyue Ping Ong"
__copyright__ = "Copyright 2012, The Materials Project"
__version__ = "0.1"
__maintainer__ = "Shyue Ping Ong"
__email__ = ""
__date__ = "Jul 12, 2012"

from collections import OrderedDict
from pymatgen.util.plotting import pretty_plot

[docs]class VoltageProfilePlotter: """ A plotter to make voltage profile plots for batteries. """ def __init__(self, xaxis="capacity"): """ Args: xaxis: The quantity to use as the xaxis. Can be either capacity (the default), or the frac_x. """ self._electrodes = OrderedDict() self.xaxis = xaxis
[docs] def add_electrode(self, electrode, label=None): """ Add an electrode to the plot. Args: electrode: An electrode. All electrodes satisfying the AbstractElectrode interface should work. label: A label for the electrode. If None, defaults to a counting system, i.e. 'Electrode 1', 'Electrode 2', ... """ if not label: label = "Electrode {}".format(len(self._electrodes) + 1) self._electrodes[label] = electrode
[docs] def get_plot_data(self, electrode): """ Args: electrode (): Electrode object Returns: Plot data in x, y. """ x = [] y = [] cap = 0 most_discharged = electrode[-1].frac_discharge norm = most_discharged / (1 - most_discharged) for vpair in electrode: if self.xaxis == "capacity": x.append(cap) cap += vpair.mAh / electrode.normalization_mass x.append(cap) else: x.append(vpair.frac_charge / (1 - vpair.frac_charge) / norm) x.append(vpair.frac_discharge / (1 - vpair.frac_discharge) / norm) y.extend([vpair.voltage] * 2) x.append(x[-1]) y.append(0) return x, y
[docs] def get_plot(self, width=8, height=8): """ Returns a plot object. Args: width: Width of the plot. Defaults to 8 in. height: Height of the plot. Defaults to 6 in. Returns: A matplotlib plot object. """ plt = pretty_plot(width, height) for label, electrode in self._electrodes.items(): (x, y) = self.get_plot_data(electrode) plt.plot(x, y, '-', linewidth=2, label=label) plt.legend() if self.xaxis == "capacity": plt.xlabel('Capacity (mAh/g)') else: plt.xlabel('Fraction') plt.ylabel('Voltage (V)') plt.tight_layout() return plt
[docs] def show(self, width=8, height=6): """ Show the voltage profile plot. Args: width: Width of the plot. Defaults to 8 in. height: Height of the plot. Defaults to 6 in. """ self.get_plot(width, height).show()
[docs] def save(self, filename, image_format="eps", width=8, height=6): """ Save the plot to an image file. Args: filename: Filename to save to. image_format: Format to save to. Defaults to eps. """ self.get_plot(width, height).savefig(filename, format=image_format)