KarrLab/wc_rules

from wc_rules.modeling.pattern import Pattern
from wc_rules.modeling.model import AggregateModel
from ..templates.graphs import *
from ..templates.rules import BindingModel

# Patterns
free_lyn = Pattern(gLyn, constraints = ['len(sh2.bond)==0'])
free_beta_u = Pattern(gReceptorBeta, constraints = ['beta.ph==False','len(beta.bond)==0'])
free_beta_p = Pattern(gReceptorBeta, constraints = ['beta.ph==True','len(beta.bond)==0'])

bound_lyn_u = Pattern(gLynReceptor, constraints = ['beta.ph==False'])
bound_lyn_p = Pattern(gLynReceptor, constraints = ['beta.ph==True'])

constitutive_model = BindingModel(
    name = 'constitutive',
    reactants = {
        'rLyn':            free_lyn,
        'rReceptor':    free_beta_u,
        'rLynReceptor':    bound_lyn_u,
        },
    targets = {
        'rLyn':            'sh2',
        'rReceptor':    'beta',
        'rLynReceptor':    'sh2',
        }
    )

active_model = BindingModel(
    name = 'active',
    reactants = {
        'rLyn':            free_lyn,
        'rReceptor':    free_beta_p,
        'rLynReceptor':    bound_lyn_p,
        },
    targets = {
        'rLyn':            'sh2',
        'rReceptor':    'beta',
        'rLynReceptor':    'sh2',
        }
    )

model = AggregateModel(
    name = 'lyn_receptor',
    models = [ constitutive_model,active_model ]
    )

data = {
    'constitutive': {
        'association_constant':        5e-2, 
        'dissociation_constant':    20.0
    },
    'active': {
        'association_constant':        5e-2, 
        'dissociation_constant':    0.12
    }
}
model.verify(data)
model.defaults = data