HEADER

the python package and function in my lib to upload and constants

PARAMETERS THAT MUST BE DEFINED FOR THE CLEANING PROCEDURE

The path_to_network must be in a different folder then the original one, in order to save the information in a work directory and to not override the info.

Reading the network and print the species that are not present in the Database Be aware that in many network, the same species is reported with different name. Please control, in the database is reported the number of atoms per species.

ENDOTHERMICITY CALCULATION

it will generete a _endo.dat file with all the reactions adresses as endothermic (i.e. above the threshold_endothermicity_kJmol)

Convert pandas reaction network dataframe to graph raction network with species and reaction as different type of nodes

DELETED ALL THE ENDOTHERMIC REACTIONS AND CONSEQUENT DOMINO EFFECT

it will generete a _domino_endo.dat file with all the reactions adresses as endothermic and deleted by Domino effect

also will create the clean network _clean.dat