Package org.openscience.cdk.tools.efgf.app

Class ErtlFunctionalGroupsFinderPerformanceSnapshotApp

  • public class ErtlFunctionalGroupsFinderPerformanceSnapshotApp
extends java.lang.Object
    An application for testing the performance of the ErtlFunctionalGroupsFinder.find() method under parallelization on multiple threads.

    Legacy code that still assumes that the old input restrictions are turned on.

    • Method Summary

      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

    • Constructor Detail

      • ErtlFunctionalGroupsFinderPerformanceSnapshotApp

        public ErtlFunctionalGroupsFinderPerformanceSnapshotApp​(java.lang.String[] anArgs)
                                                 throws java.io.IOException
        Instantiates and starts the application. It first loads all molecules from a given SD file into memory and then distributes them equally on the given number of different threads to use. It measures the time it takes for all threads to complete the extraction of functional groups using the ErtlFunctionalGroupsFinder. It exits the system if an unexpected exception occurs that prevents the application from working, e.g. an IllegalArgumentException (will be logged to a file, not printed on the console).
        Parameters:
        anArgs - the command line arguments, anArgs[0] must be the name of the SD file to load (must be located in the same directory as the application's JAR file) and anArgs[1] must be the number of different threads to use
        Throws:
        java.io.IOException - if the constructor is unable to open a text file for logging occurred exceptions