chempy.thermodynamics package

Submodules

chempy.thermodynamics.expressions module

class chempy.thermodynamics.expressions.EqExpr(*args, **kwargs)

Bases: chempy.thermodynamics.expressions.EqExpr

EqExpr is deprecated. Use MassActionEq instead.

Baseclass for equilibrium expressions

Attributes

argument_defaults

argument_names

nargs

trivially_zero

Methods

__call__(self, variables[, backend])	Call self as a function.
arg(self, variables, index[, backend, evaluate])	Parameters
args_dimensionality(self, \*\*kwargs)	return tuple of dicts mapping str to int (‘length’, ‘mass’, ‘time’, ‘current’, ‘temperature’, ‘luminous_intensity’, ‘amount’)
dedimensionalisation(self, unit_registry[, …])	Create an instance with consistent units from a unit_registry
fk(\*args)	Alternative constructor “from keys”, *args is used as unique_keys.
from_callback(callback[, attr])	Factory of subclasses
latex(self[, variables, backend, default])	Parameters

all_args
all_parameter_keys
all_params
all_unique_keys
string

class chempy.thermodynamics.expressions.GibbsEqConst(args=None, unique_keys=None)

Bases: chempy.thermodynamics.expressions.MassActionEq

Attributes

argument_defaults

nargs

trivially_zero

Methods

__call__(self, \*args, \*\*kwargs)	Call self as a function.
arg(self, variables, index[, backend, evaluate])	Parameters
args_dimensionality(self, \*\*kwargs)	return tuple of dicts mapping str to int (‘length’, ‘mass’, ‘time’, ‘current’, ‘temperature’, ‘luminous_intensity’, ‘amount’)
dedimensionalisation(self, unit_registry[, …])	Create an instance with consistent units from a unit_registry
fk(\*args)	Alternative constructor “from keys”, *args is used as unique_keys.
from_callback(callback[, attr])	Factory of subclasses
latex(self[, variables, backend, default])	Parameters

active_conc_prod
all_args
all_parameter_keys
all_params
all_unique_keys
eq_const
equilibrium_equation
string

argument_names = ('dH_over_R', 'dS_over_R')

eq_const(self, variables, backend=<module 'math' from '/opt/cpython-3.7/lib/python3.7/lib-dynload/math.cpython-37m-x86_64-linux-gnu.so'>, **kwargs)

parameter_keys = ('temperature',)

class chempy.thermodynamics.expressions.MassActionEq(args=None, unique_keys=None)

Bases: chempy.util._expr.Expr

Attributes

argument_defaults

nargs

trivially_zero

Methods

__call__(self, \*args, \*\*kwargs)	Call self as a function.
arg(self, variables, index[, backend, evaluate])	Parameters
args_dimensionality(self, \*\*kwargs)	return tuple of dicts mapping str to int (‘length’, ‘mass’, ‘time’, ‘current’, ‘temperature’, ‘luminous_intensity’, ‘amount’)
dedimensionalisation(self, unit_registry[, …])	Create an instance with consistent units from a unit_registry
fk(\*args)	Alternative constructor “from keys”, *args is used as unique_keys.
from_callback(callback[, attr])	Factory of subclasses
latex(self[, variables, backend, default])	Parameters

active_conc_prod
all_args
all_parameter_keys
all_params
all_unique_keys
eq_const
equilibrium_equation
string

active_conc_prod(self, variables, backend=<module 'math' from '/opt/cpython-3.7/lib/python3.7/lib-dynload/math.cpython-37m-x86_64-linux-gnu.so'>, equilibrium=None)

argument_names = ('equilibrium_constant',)

eq_const(self, variables, backend=<module 'math' from '/opt/cpython-3.7/lib/python3.7/lib-dynload/math.cpython-37m-x86_64-linux-gnu.so'>, **kwargs)

equilibrium_equation(self, variables, backend=<module 'math' from '/opt/cpython-3.7/lib/python3.7/lib-dynload/math.cpython-37m-x86_64-linux-gnu.so'>, equilibrium=None, **kwargs)

classmethod from_callback(callback, attr='eq_const', **kwargs)

Factory of subclasses

Parameters

callbackcallable

signature: *args, backend=math

attrstr

What attribute to override

argument_namestuple of str, optional

argument_defaultstuple of floats, optional

parameter_keystuple of str, optional,

nargsint, optional

Examples

>>> from operator import add; from functools import reduce
>>> def poly(args, x, backend=math):
...     x0 = args[0]
...     return reduce(add, [c*(x-x0)**i for i, c in enumerate(args[1:])])
...
>>> Poly = Expr.from_callback(poly, parameter_keys=('x',), argument_names=('x0', Ellipsis))
>>> p = Poly([1, 3, 2, 5])
>>> p({'x': 7}) == 3 + 2*(7-1) + 5*(7-1)**2
True
>>> q = Poly([1, 3, 2, 5], unique_keys=('x0_q',))
>>> q({'x': 7, 'x0_q': 0}) == 3 + 2*7 + 5*7**2
True