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adding a way to specify parallelism for classification #1

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adding a way to specify parallelism for classification #1

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4 changes: 2 additions & 2 deletions pyMolNetEnhancer/molnetenhancer.py
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Original file line number Diff line number Diff line change
Expand Up @@ -836,7 +836,7 @@ def run_parallel_job(input_function, input_parameters_list, parallelism_level):
results = Parallel(n_jobs = parallelism_level)(delayed(input_function)(input_object) for input_object in input_parameters_list)
return results

def get_classifications(inchifile):
def get_classifications(inchifile, parallelism_level=50):

with open(inchifile) as csvfile:
all_inchi_keys = []
Expand All @@ -854,6 +854,6 @@ def get_classifications(inchifile):
continue

#all_inchi_keys = all_inchi_keys[-1000:]
all_json = run_parallel_job(get_structure_class_entity, all_inchi_keys, parallelism_level = 50)
all_json = run_parallel_job(get_structure_class_entity, all_inchi_keys, parallelism_level = parallelism_level)

open("all_json.json", "w").write(json.dumps(all_json))