Terminate execution despite errors

From the directory graphics-extraction

• git pull; git checkout containerize
• make rebuild && make chem-v2-all-test

Check SMILES

• cp outputs/All/generated_smiles/or100.09.tables/smiles_out.txt ./smiles_test_NEW.txt
• git checkout terminate_execution
• make chem-v2-all-test
• diff outputs/All/generated_smiles/or100.09.tables/smiles_out.txt ./smiles_test_NEW.txt

There must not be any difference.

Check CDXML

• Check the file outputs/All/generated_cdxmls/or100.09.tables_full_cdxml/or100.09.tables_allpages.cdxml in ChemDraw, checking structures against the standard 24-page test file

Check ICDAR/IJDAR runs

• make download-synthetic-chem-data
• make chem-ijdar-USPTO-indigo

Output for USPTO (Indigo) dataset:

count:  5704
Total molecules (files):  5719
Tanimoto 0.994365411944743
Lev 1.018359853121175
Lev normalized 0.9921031031581111
Exact matches: 5599
Incorrectly parsed: 105
Fatal errors (files failed): 15
Memory usage: 200404 KB