smiles parser - isotopes and ions are ignored

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

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smiles parser - isotopes and ions are ignored #24

Closed cleberecht closed 7 years ago

cleberecht commented 7 years ago

fixed parsing of ions in f955595

cleberecht commented 7 years ago

fixed parsing of isotopes in 20f1429