Cdxml fixes
This MR refactors CDXML writing operations.
Testing:
- Checkout/pull the
containerize
branch. Usemake chem-v2-all-test
to generate SMILES and check the Indigo metrics at the command line. - From main directory, copy outputs/All/generated_smiles//smiles.txt to ./SMILES-TEST.txt
- Checkout/pull this branch (
cdxml_fixes
), and repeat the first step. - Run
diff ./SMILES-TEST.txt <path-to-newer-smiles.txt in output/All/...>
and check that Indigo metrics have not been affected compared to Step 1. - Check that the output CDXML files (single, page, whole document) render correctly.