$darkmode
|
DENOPTIM
|
Tool to run genetic operations in a stand-alone fashion, i.e., outside of a genetic algorithm run. More...
Public Member Functions | |
| GeneOpsRunner (File configFile, File workDir) | |
| Creates and configures the program task. More... | |
| void | runProgram () throws Throwable |
Public Member Functions inherited from denoptim.task.ProgramTask | |
| ProgramTask (File configFile, File workDir) | |
| Creates and configures the program task. More... | |
| Object | call () |
This method redirects the callable functionality to an abstract method (namely ProgramTask#runProgram()) to be specified by the implementations of this abstract class. More... | |
| void | printErrorToFile () |
Method that can be called to create a text file with the error triggered by any Throwable that can be thrown by the execution of the program. More... | |
Public Member Functions inherited from denoptim.task.Task | |
| Task (final int id) | |
| int | getId () |
| void | setVerbosity (int verbosity) |
| Set the verbosity: i.e., amount of log printed by this class. More... | |
| void | setWorkSpace (File workDir) |
| Sets the pathname of the work space, i.e., the location where the task is supposed to use move to or to threat as the result of "pwd" at runtime. More... | |
| boolean | isCompleted () |
| boolean | foundException () |
| Throwable | getException () |
| String | getErrorMessage () |
| void | stopTask () |
| Stop the task if not already completed. More... | |
| String | toString () |
| Returns a string identifying this task by its ID and reporting whether an exception has been thrown and if the tasks is completed. More... | |
| void | setNotify (boolean notify) |
Private Member Functions | |
| void | runMutation () throws DENOPTIMException |
| void | runXOver () throws DENOPTIMException |
| Set< Vertex > | getSubGraphEnds (DGraph graph, List< int[]> embeddingPaths, String operation) |
| Vertex | getEmbeddedVertex (int[] embeddingPath, DGraph graph, String operation) |
Private Attributes | |
| GeneOpsRunnerParameters | settings |
| Settings from input parameters. More... | |
| FragmentSpace | fragSpace |
| Fragment space in use. More... | |
| GAParameters | gaParams |
| Parameters for genetic algorithm. More... | |
| Logger | logger = null |
| Program-specific logger. More... | |
Additional Inherited Members | |
Public Attributes inherited from denoptim.task.Task | |
| Object | lock = new Object() |
| Lock for addressing synchronization issues. More... | |
Protected Member Functions inherited from denoptim.task.ProgramTask | |
| void | handleThrowable () |
Method to handle any Throwable originated from the runProgram() method. More... | |
| void | stopLogger () |
| Stops the program-specific logger and releases the lock file on the logfile. More... | |
| abstract void | runProgram () throws Throwable |
Protected Attributes inherited from denoptim.task.ProgramTask | |
| File | configFilePathName |
| File containing configuration parameters for the program task. More... | |
| String | loggerIdentifier = "none" |
| Identifier of this program's logger. More... | |
Protected Attributes inherited from denoptim.task.Task | |
| boolean | notifyGlobalTaskManager = false |
| Flag controlling whether this task is expected to notify the static task manager. More... | |
| boolean | completed = false |
| Flag about completion. More... | |
| boolean | hasException = false |
| Flag about exception. More... | |
| String | errMsg = "" |
| Error message produced by any subtask. More... | |
| Throwable | thrownExc |
| Exception thrown. More... | |
| int | id |
| A user-assigned id for this task. More... | |
| ProcessHandler | processHandler |
| Executor for external bash script. More... | |
| File | workDir |
| The file system location where we want to be placed when doing the work. More... | |
| int | verbosity = 0 |
| Verbosity level. More... | |
| final String | SEP = System.getProperty("file.separator") |
| System-dependent file separator. More... | |
| final String | NL = System.getProperty("line.separator") |
| System-dependent line separator (newline) More... | |
Tool to run genetic operations in a stand-alone fashion, i.e., outside of a genetic algorithm run.
Definition at line 59 of file GeneOpsRunner.java.
| denoptim.programs.genetweeker.GeneOpsRunner.GeneOpsRunner | ( | File | configFile, |
| File | workDir | ||
| ) |
Creates and configures the program task.
| configFile | the file containing the configuration parameters. |
| workDir | the file system location from which to run the program. |
Definition at line 89 of file GeneOpsRunner.java.
References denoptim.task.Task.workDir.
|
private |
Definition at line 325 of file GeneOpsRunner.java.
References denoptim.graph.DGraph.getVertexWithId(), and denoptim.programs.genetweeker.GeneOpsRunner.logger.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.getSubGraphEnds(), denoptim.programs.genetweeker.GeneOpsRunner.runMutation(), and denoptim.programs.genetweeker.GeneOpsRunner.runXOver().
|
private |
Definition at line 312 of file GeneOpsRunner.java.
References denoptim.programs.genetweeker.GeneOpsRunner.getEmbeddedVertex().
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runXOver().
|
private |
Definition at line 139 of file GeneOpsRunner.java.
References denoptim.utils.MutationType.ADDLINK, denoptim.programs.RunTimeParameters.containsParameters(), denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.programs.RunTimeParameters.ParametersType.FS_PARAMS, denoptim.programs.RunTimeParameters.ParametersType.GA_PARAMS, denoptim.programs.genetweeker.GeneOpsRunner.gaParams, denoptim.programs.genetweeker.GeneOpsRunner.getEmbeddedVertex(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.programs.RunTimeParameters.getParameters(), denoptim.programs.RunTimeParameters.getRandomizer(), denoptim.graph.DGraph.getSelectedMutableSites(), denoptim.graph.Vertex.getVertexId(), denoptim.programs.genetweeker.GeneOpsRunnerParameters.idNewAP, denoptim.programs.genetweeker.GeneOpsRunnerParameters.idNewVrt, denoptim.programs.genetweeker.GeneOpsRunnerParameters.idTargetAP, denoptim.programs.genetweeker.GeneOpsRunnerParameters.inpFileM, denoptim.programs.genetweeker.GeneOpsRunner.logger, denoptim.programs.genetweeker.GeneOpsRunnerParameters.mutationTarget, denoptim.programs.genetweeker.GeneOpsRunnerParameters.mutationType, denoptim.task.Task.NL, denoptim.programs.genetweeker.GeneOpsRunnerParameters.outFileM, denoptim.ga.GraphOperations.performMutation(), denoptim.utils.Randomizer.randomlyChooseOne(), denoptim.programs.RunTimeParameters.ParametersType.RC_PARAMS, denoptim.io.DenoptimIO.readDENOPTIMGraphsFromFile(), denoptim.programs.RunTimeParameters.setParameters(), denoptim.graph.Vertex.setProperty(), denoptim.programs.genetweeker.GeneOpsRunner.settings, denoptim.constants.DENOPTIMConstants.STOREDVID, denoptim.graph.DGraph.toString(), and denoptim.io.DenoptimIO.writeSDFFile().
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runProgram().
| void denoptim.programs.genetweeker.GeneOpsRunner.runProgram | ( | ) | throws Throwable |
Reimplemented from denoptim.task.ProgramTask.
Definition at line 97 of file GeneOpsRunner.java.
References denoptim.programs.genetweeker.GeneOpsRunnerParameters.checkParameters(), denoptim.task.ProgramTask.configFilePathName, denoptim.programs.RunTimeParameters.containsParameters(), denoptim.programs.RunTimeParameters.ParametersType.FS_PARAMS, denoptim.programs.RunTimeParameters.ParametersType.GA_PARAMS, denoptim.fragspace.FragmentSpaceParameters.getFragmentSpace(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.programs.RunTimeParameters.getParameters(), denoptim.task.ProgramTask.loggerIdentifier, denoptim.programs.genetweeker.GeneOpsRunnerParameters.operatorToTest, denoptim.programs.RunTimeParameters.printParameters(), denoptim.programs.genetweeker.GeneOpsRunnerParameters.processParameters(), denoptim.programs.RunTimeParameters.readParameterFile(), denoptim.programs.genetweeker.GeneOpsRunner.runMutation(), denoptim.programs.genetweeker.GeneOpsRunner.runXOver(), denoptim.programs.genetweeker.GeneOpsRunner.settings, and denoptim.programs.RunTimeParameters.startProgramSpecificLogger().
|
private |
Definition at line 228 of file GeneOpsRunner.java.
References denoptim.utils.CrossoverType.BRANCH, denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.programs.genetweeker.GeneOpsRunner.fragSpace, denoptim.programs.genetweeker.GeneOpsRunner.gaParams, denoptim.graph.DGraph.getChildTreeLimited(), denoptim.programs.genetweeker.GeneOpsRunner.getEmbeddedVertex(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.programs.RunTimeParameters.getRandomizer(), denoptim.programs.genetweeker.GeneOpsRunner.getSubGraphEnds(), denoptim.graph.Vertex.getVertexId(), denoptim.programs.genetweeker.GeneOpsRunnerParameters.inpFileF, denoptim.programs.genetweeker.GeneOpsRunnerParameters.inpFileM, denoptim.ga.GraphOperations.locateCompatibleXOverPoints(), denoptim.programs.genetweeker.GeneOpsRunner.logger, denoptim.programs.denovo.GAParameters.maxXOverableSubGraphSize, denoptim.task.Task.NL, denoptim.programs.genetweeker.GeneOpsRunnerParameters.outFileF, denoptim.programs.genetweeker.GeneOpsRunnerParameters.outFileM, denoptim.ga.GraphOperations.performCrossover(), denoptim.utils.Randomizer.randomlyChooseOne(), denoptim.io.DenoptimIO.readDENOPTIMGraphsFromFile(), denoptim.graph.DGraph.renumberGraphVertices(), denoptim.programs.genetweeker.GeneOpsRunner.settings, denoptim.utils.CrossoverType.SUBGRAPH, denoptim.io.DenoptimIO.writeSDFFile(), denoptim.programs.genetweeker.GeneOpsRunnerParameters.xoverSrcFemale, denoptim.programs.genetweeker.GeneOpsRunnerParameters.xoverSrcMale, denoptim.programs.genetweeker.GeneOpsRunnerParameters.xoverSubGraphEndFemale, and denoptim.programs.genetweeker.GeneOpsRunnerParameters.xoverSubGraphEndMale.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runProgram().
|
private |
Fragment space in use.
Definition at line 70 of file GeneOpsRunner.java.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runXOver().
|
private |
Parameters for genetic algorithm.
Definition at line 75 of file GeneOpsRunner.java.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runMutation(), and denoptim.programs.genetweeker.GeneOpsRunner.runXOver().
|
private |
Program-specific logger.
Definition at line 80 of file GeneOpsRunner.java.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.getEmbeddedVertex(), denoptim.programs.genetweeker.GeneOpsRunner.runMutation(), and denoptim.programs.genetweeker.GeneOpsRunner.runXOver().
|
private |
Settings from input parameters.
Definition at line 65 of file GeneOpsRunner.java.
Referenced by denoptim.programs.genetweeker.GeneOpsRunner.runMutation(), denoptim.programs.genetweeker.GeneOpsRunner.runProgram(), and denoptim.programs.genetweeker.GeneOpsRunner.runXOver().