Syntax Error in evaluate match

User 8021c13096

11-09-2008 17:00:06

Whilst trying the evaluate tool in version 5_1_01 on RedHat WS 4, 64 bit version, I encountered a problem with the match function. Here is the output from a typical example:





Code:
108% evaluate -e "match('[O,S;H1]')" aroms.smiles Exception in thread "main" chemaxon.nfunk.jep.ParseException: Error while compiling expression:


match('[O,S;H1]')


    Syntax Error (implicit multiplication not enabled)


        at chemaxon.nfunk.jep.JEP.parseExpression(Unknown Source)


        at chemaxon.jep.ChemJEP.compile(Unknown Source)


        at chemaxon.jep.Evaluator.compile(Unknown Source)


        at chemaxon.jep.Evaluator.compile(Unknown Source)


        at chemaxon.jep.Evaluator.main(Unknown Source)


Caused by:


chemaxon.nfunk.jep.ParseException: Syntax Error (implicit multiplication not enabled)


        at chemaxon.nfunk.jep.Parser.MultiplicativeExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.AdditiveExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.RelationalExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.EqualExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.AndExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.OrExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.MultipleExpression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.Expression(Unknown Source)


        at chemaxon.nfunk.jep.Parser.Start(Unknown Source)


        at chemaxon.nfunk.jep.Parser.parseStream(Unknown Source)


        at chemaxon.nfunk.jep.JEP.parseExpression(Unknown Source)


        at chemaxon.jep.ChemJEP.compile(Unknown Source)


        at chemaxon.jep.Evaluator.compile(Unknown Source)


        at chemaxon.jep.Evaluator.compile(Unknown Source)


        at chemaxon.jep.Evaluator.main(Unknown Source)


109%






We are using jrel.6.0_07 for java, and the initial tests from evaluate except this version.





I would like to use this new tool. Is this a bug or a configuration issue with our environment?

ChemAxon e08c317633

12-09-2008 16:12:18

Do you use JChem 5.1.1 package, or Marvin 5.1.1? Match functions only work in JChem.





Zsolt

User 8021c13096

15-09-2008 07:35:00

yep Marvin 5.1.1!





Is there any plan to introduce it into Marvin?





Thanks

ChemAxon e08c317633

16-09-2008 07:36:50

We will release a software package called "Structure search extension for Marvin"; it will contain the classes from JChem that are required to use the match Chemical Terms function.





Zsolt