


ES_SAMPLE_ELASTICITIES - Elasticity phase
result = es_sample_elasticities(N, W, ind_ext, es_constraints, es_options, c0, c, u, J, Keq, mu, K, Kma, zeta, A)
Elasticity sampling: run elasticity sampling phase and MCA phase
Inputs (= Outputs of es_sample_steady_state; with nm: # metabolites; nr: # reactions)
N - Stoichiometric matrix (nm x nr)
W - Allosteric regulation matrix (nr x nm)
ind_ext - indices of external metabolites
c0 - Vector of chemical equilibrium concentrations (optional)
c - Vector of concentrations
u - Vector of enzyme levels
J - Flux vector
Keq - Vector of equilibrium constants
mu - Vector of chemical potentials
K - Kernel matrix
Kma - Vector of mass-action ratios
zeta - zeta vector computed from reaction affinities
A - Vector of reaction affinities (thermodynamic driving forces)
For the inputs 'es_constraints' and 'es_options', see 'es_default_options'
Fields in 'es_constraints' and 'es_options' relevant to this function:
es_constraints.beta_M_fix - predefined beta values (only used if non-zero)
es_constraints.beta_A_fix - predefined beta values (only used if non-zero)
es_constraints.beta_I_fix - predefined beta values (only used if non-zero)
es_options.kinetic_law - Rate law {'cs','ms', ...}
es_options.h - vector of Hill exponents (one for each reaction)
es_options.no_equilibrium - flag: assume no equilibrium for inactive reactions
es_options.KV_prior_mean - .. and KV value to be used in this case
es_options.flag_test - Run tests? (Boolean)
es_options.flag_second_order - Compute second-order elasticities? (Boolean)
es_options.zv - Flux weights for 2nd order resp. coeff output function
es_options.zc - Conc. weights for 2nd order resp. coeff output function
All output data are stored in a structure 'result' with fields:
result.c - Metabolite levels
result.c0 - Equilibrium metabolite levels
result.u - Enzyme levels
result.A - Reaction affinities
result.zeta - zeta vector (computed from reaction affinities)
result.mu - Chemical potentials
result.J - Fluxes
result.v - Reaction rates (computed from rate laws, v=J)
result.v_plus - Microscopic forward rates
result.v_minus - Microscopic reverse rates
result.Keq - Equilibrium constants
result.Kma - Mass-action ratios
result.KA - Activation constants
result.KI - Inhibition constants
result.KM - Reactant constants
result.KV - Velocity constants (geometric mean of catalytic constants)
result.Kplus - Forward catalytic constants
result.Kminus - Reverse catalytic constants
result.saturation - Saturation values
result.elasticities - Elasticities (scaled and unscaled)
result.control - Control and response coefficients (scaled and unscaled)
result.K - Kernel matrix
result.kinetics - kinetic rate laws (to be inserted into 'network')
See also: es_sample_model