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Currently, if one uses chemical formulas (like O2), some of the times there is more than one NIST webbook entry. In this case, JDXConverter will not be able to retrieve a pattern. Instead, JDXConverter should return the top result and take the name from the page.
Perhaps a warning could be printed, that YYY was ambiguous, and that XXX chemical was retrieved, and that if the user intended for a different molecule to be retrieved, they need to enter an unambiguous molecular name and not a molecular formula.
The text was updated successfully, but these errors were encountered:
Currently, if one uses chemical formulas (like O2), some of the times there is more than one NIST webbook entry. In this case, JDXConverter will not be able to retrieve a pattern. Instead, JDXConverter should return the top result and take the name from the page.
For example, CO2 is not considered unambiguous by JDX converter, but 'obviously' it should be carbon dioxide, which is the first result:
https://webbook.nist.gov/cgi/cbook.cgi?Name=CO2&NoIon=on&Units=SI
Perhaps a warning could be printed, that YYY was ambiguous, and that XXX chemical was retrieved, and that if the user intended for a different molecule to be retrieved, they need to enter an unambiguous molecular name and not a molecular formula.
The text was updated successfully, but these errors were encountered: