Sample general reversibilities¶
- sampleGeneralReversibilities(ensemble, models, RT, strucIdx)¶
Function used to calculate the reversibilities for each reaction.
It doesn’t work yet for promiscuous reactions with common steps.
USAGE:
[ensemble, models, isModelValid] = sampleGeneralReversibilities(ensemble, models, RT, strucIdx)
- INPUT:
ensemble (struct): model ensemble, see buildEnsemble for fields description models (struct): model, see initialSampler for fields description RT (double): product of the gas constant and temperature strucIdx (int): number of the model structure considered
- OUTPUT:
ensemble (struct): model ensemble, see buildEnsemble for fields description models (struct): model structure with added reversibilities, see initialSampler for fields description isModelValid (logical): whether or not the model is valid