time limit on tautomer plugin

Can you please advise how to use time limit on tautomer plugin? An example would be great.

I am using .Net 14.9 version of libraries.

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I am also wondering what is  being returned when limit passed? Would there be errors returned by getErrorMessage method?

 

chemaxon.struc.Molecule m = MolImporter.importMol(mol as string);

TautomerizationPlugin plugin = new TautomerizationPlugin();

plugin.setTimeLimit(1200);

plugin.setMolecule(m);

var ret = plugin.run();

int count = plugin.getStructureCount();

string plugin_errors = plugin.getErrorMessage();

 

 

Thanks,

Ken

anybody, please..

Hi,

 

I've attached an example code for using of the "timeLimit" parameter for generating of canonic tautomers.

The attached "sdf" file containes the molecules which are used for testing of the timeLimit parameter. The two output test results  are also attached on the figures.

Three columns are created on the output screen with the test code. These are the "Elapsed time", the "result flag", and the generated "canonic form". The "Elapsed time" column is about the  total time spent  on the canonic tautomer generation.

The "result flag"  will be adjusted as "SUCCESS"  if the canonic tautomer generation was successfull  within the  time range given in the "timeLimit" parameter otherwise the "FAILURE" flag will be returned in the result column. 

In case of  the "timed out" event the input molecule will be returned.

The "timeLimit" parameter applicable only in case of the canonic tautomer generation.

 

Jozsi

Hi,

I am also wondering what is  being returned when limit passed? Would there be errors returned by getErrorMessage method?

There is no error message or warning  which would inform  the user about the time limit overflow event.

This is a mistake in the calculator.

We are going to fix this bug.

 

Jozsi