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Draft: Time out feature

Louison Fresnais requested to merge TimeOut_feature into develop

Problem: GSAM and particularly the code calling RDT remained blocked because of some reactions resulting in several days of computing without any results.

Solution: I modified to add a timeout.

To do so I created a void called "perform_aam" that performs the atom mapping step. This void is converted to a callable task and called for each entry of rxnSmilesMap. If the executor cannot get the results from the thread before a defined time (default = 6hours) set by the user with the parameter -t, the task is killed and the failed reaction is displayed in the log.

This is a quick and dirty solution. I think the optimal solution would be to define timers directly in RDT and for each algorithm.



Edited by Clement Frainay

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