KarrLab/wc_rules

from .graphs import build_Syk, build_receptor, recruit_to_receptor
from .templates import BindingModel

from wc_rules.modeling.pattern import GraphContainer, Pattern
from wc_rules.modeling.model import AggregateModel


gTandemSH2 = build_Syk(['tsh2'])
gGamma = build_receptor(['gamma'])
gTandemSH2GammaBond = recruit_to_receptor(build_receptor(['gamma']),build_Syk(['tsh2']))


class SykReceptorBindingModel(BindingModel):

    def __init__(self):
        return super().__init__(
            name = 'syk_receptor',
            reactants = {
                'rTandemSH2':gTandemSH2,
                'rGamma': gGamma,
                'rTandemSH2GammaBond': gTandemSH2GammaBond
            },
            targets = ['tsh2','gamma']
        )

model = SykReceptorBindingModel()

data = {
    'association_constant':        6e-2, 
    'dissociation_constant':    20.0
}

model.verify(data)
model.defaults = data