Core Model ========== .. module:: microscopic_gating.model This module provides the main model class that integrates all components of the microscopic gating framework. Microscopic Gating Model ------------------------ .. autoclass:: MicroscopicGatingModel :members: :member-order: bysource :show-inheritance: Usage Example ------------- .. code-block:: python from microscopic_gating import MicroscopicGatingModel from microscopic_gating.gating import SymmetricGating from microscopic_gating.adsorption import LangmuirIsotherm from microscopic_gating.geometry import ConstantContactProbability from microscopic_gating.types import SitePairCount # Create components isotherm = LangmuirIsotherm(K=1.0) gating = SymmetricGating(isotherm) contact = ConstantContactProbability(chi=0.5) site_pairs = SitePairCount(M=10, N_acc=5) # Assemble model model = MicroscopicGatingModel( gating=gating, contact=contact, kappa_B=0.8, site_pairs=site_pairs ) # Calculate probabilities import numpy as np phi = np.logspace(-2, 2, 100) P_open = model.P_open(phi) P_closed = model.P_closed(phi) Theory ------ The full model implements the chain: .. math:: P_{\text{bridge}}(\phi) = \langle \chi \rangle \kappa_B G(\phi) \langle n_b \rangle = N_{\text{pair}} P_{\text{bridge}}(\phi) P_{\text{open}} = e^{-\langle n_b \rangle} P_{\text{closed}} = 1 - P_{\text{open}}