Python Language
- Getting started with Python Language
- Awesome Book
- Awesome Community
- Awesome Course
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- *args and **kwargs
- 2to3 tool
- Abstract Base Classes (abc)
- Abstract syntax tree
- Accessing Python source code and bytecode
- Alternatives to switch statement from other languages
- ArcPy
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- Boolean Operators
- Call Python from C#
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- ChemPy - python package
- Balancing reactions
- Balancing stoichiometry of a chemical reaction
- Chemical equilibria
- Chemical kinetics (system of ordinary differential equations)
- Ionic strength
- Parsing formulae
- Classes
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- Introduction to RabbitMQ using AMQPStorm
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- Iterables and Iterators
- Itertools Module
- JSON Module
- kivy - Cross-platform Python Framework for NUI Development
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- sys
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- User-Defined Methods
- Using loops within functions
- Variable Scope and Binding
- virtual environment with virtualenvwrapper
- Virtual environments
- Web scraping with Python
- Web Server Gateway Interface (WSGI)
- Webbrowser Module
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- Working around the Global Interpreter Lock (GIL)
- Working with ZIP archives
- Writing extensions
- Writing to CSV from String or List
Python Language ChemPy - python package Chemical kinetics (system of ordinary differential equations)
Example
from chempy import ReactionSystem # The rate constants below are arbitrary
rsys = ReactionSystem.from_string("""2 Fe+2 + H2O2 -> 2 Fe+3 + 2 OH-; 42
2 Fe+3 + H2O2 -> 2 Fe+2 + O2 + 2 H+; 17
H+ + OH- -> H2O; 1e10
H2O -> H+ + OH-; 1e-4
Fe+3 + 2 H2O -> FeOOH(s) + 3 H+; 1
FeOOH(s) + 3 H+ -> Fe+3 + 2 H2O; 2.5""") # "[H2O]" = 1.0 (actually 55.4 at RT)
from chempy.kinetics.ode import get_odesys
odesys, extra = get_odesys(rsys)
from collections import defaultdict
import numpy as np
tout = sorted(np.concatenate((np.linspace(0, 23), np.logspace(-8, 1))))
c0 = defaultdict(float, {'Fe+2': 0.05, 'H2O2': 0.1, 'H2O': 1.0, 'H+': 1e-7, 'OH-': 1e-7})
result = odesys.integrate(tout, c0, atol=1e-12, rtol=1e-14)
import matplotlib.pyplot as plt
_ = plt.subplot(1, 2, 1)
_ = result.plot(names=[k for k in rsys.substances if k != 'H2O'])
_ = plt.legend(loc='best', prop={'size': 9}); _ = plt.xlabel('Time'); _ = plt.ylabel('Concentration')
_ = plt.subplot(1, 2, 2)
_ = result.plot(names=[k for k in rsys.substances if k != 'H2O'], xscale='log', yscale='log')
_ = plt.legend(loc='best', prop={'size': 9}); _ = plt.xlabel('Time'); _ = plt.ylabel('Concentration')
_ = plt.tight_layout()
plt.show()
