Closed kfir4444 closed 9 months ago
I have done some experiments using the timeit
package, and loading the default reaction families takes ~6.73 seconds (averaged over 10 repeats), versus loading all reaction families, which takes ~7.26 seconds. Since an expected difference of 0.53 seconds is not a major setback when compared with the other calculations, I suggest to avoid fixing this issue, and always load all reaction families, unless the user specifically asks not to.
Script used for timing:
import timeit
setup = '''
from arc.rmgdb import load_families_only, determine_family, make_rmg_database_object
import arc.rmgdb
del arc.rmgdb.rmg_database_instance # cleaning the global variable
arc.rmgdb.rmg_database_instance = None # avoiding NameErrors
'''
test_1 = '''
db = make_rmg_database_object()
load_families_only(db)
'''
test_2 = '''
db = make_rmg_database_object()
load_families_only(db, "all")
'''
times_regular_load = timeit.repeat(setup=setup,
stmt=test_1,
repeat=10,)
times_all_load = timeit.repeat(setup=setup,
stmt=test_2,
repeat=10,)
This issue is not expected to be encountered by in a normal ARC use, and is circumvented by loading all reaction families, as in #704
Describe the bug If RMGDB object has
.kinetics.families
, it will not load more families, even when the user requested to load a different set of reaction families.How to reproduce
Expected behavior To load reaction families as the user requested.