ArrayIndexOutOfBoundsException during import

Hi,


i tried to import some structures. The following (valid) SMILES code


gave an error. I am not sure why, because mview can show the compound. Import via FP 16:8:8 and no duplicates and empty structures


allowed.





Source file: C10H10





Error: Failed to import row 98,041


java.lang.ArrayIndexOutOfBoundsException: -1





C10H10_errors.smi contains C\C=C1/C=C/1/C=C1CC=C/1








This is Instant JChem 2.3.1





Import completed in 1,748s.


283,422 entries successfully imported.


1 Errors.


700 were not imported as they were duplicates


Bad records can be found at


Z:\C10H10_errors.smi


Duplicate records can be found at


Z:\C10H10_duplicates.smi


284,123 entries processed.





-------------------------------


There seems to be an additional error, because if you look


at the C10H10 substances with mview structure 98,041 is


CC1=C(C)C=C2C=C2C=C1 and not as in Instant-JChem


C\C=C1/C=C/1/C=C1CC=C/1 so something with the number counting


seems also wrong.











Cheers


Tobias

The problem with that one structure is a JChem import bug.


The wrong row number report is an IJC bug.





Both are fixed in the 2.4 release and all structures in that file import OK.





Thanks for the report.





Tim