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demo_kinetics.py
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/
demo_kinetics.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
from __future__ import absolute_import, division, print_function
from chempy.kinetics.integrated import (
pseudo_irrev, pseudo_rev, binary_irrev, binary_rev
)
import sympy
funcs = (pseudo_irrev, pseudo_rev, binary_irrev, binary_rev)
def main():
"""
This example demonstrates how to generate pretty equations from the analytic
expressions found in ``chempy.kinetics.integrated``.
"""
t, kf, t0, major, minor, prod, beta = sympy.symbols(
't k_f t0 Y Z X beta', negative=False)
for f in funcs:
args = [t, kf, prod, major, minor]
if f in (pseudo_rev, binary_rev):
args.insert(2, kf/beta)
expr = f(*args, backend='sympy')
with open(f.__name__ + '.png', 'wb') as ofh:
sympy.printing.preview(expr, output='png', filename='out.png',
viewer='BytesIO', outputbuffer=ofh)
with open(f.__name__ + '_diff.png', 'wb') as ofh:
sympy.printing.preview(expr.diff(t).subs({t0: 0}).simplify(),
output='png', filename='out.png',
viewer='BytesIO', outputbuffer=ofh)
if __name__ == '__main__':
main()