Error generating IUPAC Name when importing SDFile

User 818520b6b8

31-07-2007 12:19:28

Hello,





I have some errors like the following one when importing an SDFILE:





Error in molecule 2377


chemaxon.jchem.db.ChemicalTermsUpdateHandlerException: Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL


_NAME: Error while evaluating expression:


traditionalName()


Timeout after 1s while computing name


Timeout after 1s while computing name, expression: traditionalName()


at chemaxon.jchem.db.UpdateHandler.calcChemTermColValues(UpdateHandler.java:1349)


at chemaxon.jchem.db.UpdateHandler.init(UpdateHandler.java:1026)


at chemaxon.jchem.db.UpdateHandler.createRowData(UpdateHandler.java:2815)


at chemaxon.jchem.db.UpdateHandler.createRowData(UpdateHandler.java:2795)


at chemaxon.jchem.db.FileToSQLHandler$ProcessingThread.run(FileToSQLHandler.java:234)





Thank you.

ChemAxon aa7c50abf8

31-07-2007 12:28:07

Hallo,





This problem has been fixed in Marvin 4.1.11. JChem 3.2.9 includes Marvin 4.1.11. Upgrading to JChem 3.2.9 should solve the problem.





Thanks


Peter

User 818520b6b8

01-08-2007 06:44:50

Hi,





I have two structure tables with the same data, but the second one has two "Chemical Terms" for IUPAC Naming





The first one took 1 hour to regenerate, but the second one had been upgrading for more than 24 hours, and hadn't finished yet. Is this the expected performance?





I also caused lots of errors for most of the IUPAC Names generation. Following there's an excerpt:





Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Name generation failed


Name generation failed, expression: traditionalName()


Error with Chemical Terms evaluation for column IUPAC_NAME: Error while evaluating expression:


name()


Name generation failed


Name generation failed, expression: name()


Error with Chemical Terms evaluation for column IUPAC_TRADITIONAL_NAME: Error while evaluating expression:


traditionalName()


Timeout after 60s while computing name


Timeout after 60s while computing name, expression: traditionalName()





Thank you for your help.

ChemAxon aa7c50abf8

01-08-2007 17:38:34

Thank you for reporting this problem. We have started to investigate it and will get back to you as soon as we have some relevant findings.





Thanks


Peter