def main():
NAMES = map('_'.join, product(('rev', 'irrev'),('binary', 'unary')))
PARAMS = ('K_eq', 'k_b')
SYMBS = get_symbs()
BODY = {name_param: open(name_param+'.c','rt').read() for \
name_param in map('_'.join, product(NAMES, PARAMS))}
render_mako_template_to('analytic_template.c', 'analytic.c', locals())
render_mako_template_to('_analytic_template.pyx', '_analytic.pyx', locals())
def main():
NAMES = map('_'.join, product(('rev', 'irrev'), ('binary', 'unary')))
PARAMS = ('K_eq', 'k_b')
SYMBS = get_symbs()
BODY = {name_param: open(name_param+'.c','rt').read() for \
name_param in map('_'.join, product(NAMES, PARAMS))}
render_mako_template_to('analytic_template.c', 'analytic.c', locals())
render_mako_template_to('_analytic_template.pyx', '_analytic.pyx',
locals())
#!/usr/bin/env python
# -*- coding: utf-8 -*-
from common import get_symbs
from derivations import as_align_env, primitive_valid
from sympy import (
symbols, Eq, Derivative, Integral, log, solve,
collect, atan, sqrt, S, exp, Piecewise, ccode
)
globals().update(get_symbs()) # see common.py: x, Y, Z, k_f, ...
subs = {}
eqs = []
# rate of x
rate_expr = k_f*Y*(Z-x) - k_b*x
rate_eq = Eq(Derivative(x,t), rate_expr)
eqs.append(rate_eq)
integrand = 1/rate_expr
inte_eq_lhs = Integral(integrand.subs({x: chi}), (chi,0,x))
inte_eq_rhs = Integral(1, (tau,0,t))
inte_eq = Eq(inte_eq_lhs, inte_eq_rhs)
eqs.append(inte_eq)
expl_in_x_eq = inte_eq.doit().simplify()
eqs.append(expl_in_x_eq)
expl_in_t_eq = Eq(x, solve(expl_in_x_eq, x)[0])
eqs.append(expl_in_t_eq)
#!/usr/bin/env python
# -*- coding: utf-8 -*-
from common import get_symbs, symbol_names
from derivations import as_align_env, primitive_valid
from sympy import (symbols, Eq, Derivative, Integral, log, solve, collect,
atan, sqrt, S, exp, Piecewise, ccode)
globals().update(get_symbs()) # see common.py: x, Y, Z, k_f, ...
subs = {}
eqs = []
# rate of x
rate_expr = k_f * Y * (Z - x) - k_b * x
rate_eq = Eq(Derivative(x, t), rate_expr)
eqs.append(rate_eq)
integrand = 1 / rate_expr
inte_eq_lhs = Integral(integrand.subs({x: chi}), (chi, 0, x))
inte_eq_rhs = Integral(1, (tau, 0, t))
inte_eq = Eq(inte_eq_lhs, inte_eq_rhs)
eqs.append(inte_eq)
expl_in_x_eq = inte_eq.doit().simplify()
eqs.append(expl_in_x_eq)
expl_in_t_eq = Eq(x, solve(expl_in_x_eq, x)[0])
eqs.append(expl_in_t_eq)
alt_expl_in_t = Z * k_f * Y / (k_f * Y + k_b) * (1 - exp(-t * (k_f * Y + k_b)))
