10.1.1.1.3. freeflux.analysis.inst_simulate

Define the InstSimulator class.

10.1.1.1.3.1. Attributes

__author__

10.1.1.1.3.2. Classes

InstSimulator

Provided fluxes should be in the unit of umol/gCDW/s if concentrations in the unit of

10.1.1.1.3.3. Module Contents

freeflux.analysis.inst_simulate.__author__ = 'Chao Wu'[source]
class freeflux.analysis.inst_simulate.InstSimulator(model)[source]

Bases: freeflux.analysis.simulate.Simulator

Provided fluxes should be in the unit of umol/gCDW/s if concentrations in the unit of umol/gCDW and timepoints in the unit of s.

set_concentration(metabid, value)[source]

Set metabolite concentration in unit of umol/gCDW.

Parameters:
  • metabid (str) – Metabolite ID.

  • value (float) – Intracellular concentration.

set_concentrations_from_file(file)[source]

Read metabolite concentrations (umol/gCDW) from file.

Parameters:

file (file path) – tsv or excel file with fields “metabolite_ID” and “value”.

_unset_concentrations(metabids)[source]
Parameters:

metabids (str or list of str) – Metabolite ID(s).

set_timepoints(timepoints)[source]

Set timepoints in unit of s.

Parameters timepoints: list of float

Timepoints when MDVs are simulated.

_unset_timepoints()[source]
_lambdify_matrix_Ms()[source]
_unset_matrix_Ms()[source]
_calculate_initial_matrix_Xs()[source]
_unset_initial_matrix_Xs()[source]
_calculate_initial_matrix_Ys()[source]
_unset_initial_matrix_Ys()[source]
_build_initial_sim_MDVs()[source]
_unset_initial_sim_MDVs()[source]
prepare(n_jobs=1)[source]
Parameters:

n_jobs (int) – If n_jobs > 1, decomposition job will run in parallel.

_check_dependencies()[source]
simulate()[source]
Returns:

instTargetMDVs – EMU IDs => {measurement timepoints => simulated MDVs}

Return type:

dict of dict