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DENOPTIM
denoptim.ga.OffspringEvaluationTask Class Reference

Task that calls the fitness provider for an offspring that can become a member of the current population. More...

Inheritance diagram for denoptim.ga.OffspringEvaluationTask:
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Collaboration diagram for denoptim.ga.OffspringEvaluationTask:
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Public Member Functions

 OffspringEvaluationTask (GAParameters gaSettings, Candidate offspring, Candidate sibling, String workDir, Population popln, Monitor mnt, String fileUID, boolean replaceWorstPopMember)
 
Object call () throws DENOPTIMException, Exception
 
- Public Member Functions inherited from denoptim.task.FitnessTask
 FitnessTask (FitnessParameters settings, Candidate c)
 
- 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 Attributes

final String molName
 
volatile Population population
 
volatile Monitor mnt
 
final boolean replaceWorstPopMember
 
GAParameters gaSettings
 Parameters controlling GA experiments. More...
 
FragmentSpace fragSpace
 The fragment space. More...
 
Candidate sibling
 The sibling of this offspring. 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.FitnessTask
void runFitnessProvider () throws DENOPTIMException
 This method runs the actual evaluation of the fitness, whether that is run internally (i.e., within this instance of the JAVA VM), or delegated to an external child process. More...
 
- Protected Attributes inherited from denoptim.task.FitnessTask
DGraph dGraph
 The graph representation of the entity to evaluate. More...
 
IAtomContainer fitProvMol = null
 The chemical representation of the entity to evaluate. More...
 
Candidate result
 The data structure holding the results of this task. More...
 
String fitProvInputFile
 The file where we store the input to the fitness provider. More...
 
String fitProvOutFile
 The file where we store the final output from the fitness provider. More...
 
String fitProvPNGFile
 The file where we store the graphical representation of the candidate (i.e., a picture). More...
 
String fitProvUIDFile = null
 The file where we store the list of unique identifiers or previously evaluated candidates. More...
 
boolean fitnessIsRequired = false
 Flag specifying if a valid fitness value is required to consider the task successfully completed. More...
 
FitnessParameters fitnessSettings
 Settings for the calculation of the fitness. 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...
 

Detailed Description

Task that calls the fitness provider for an offspring that can become a member of the current population.

Definition at line 46 of file OffspringEvaluationTask.java.

Constructor & Destructor Documentation

◆ OffspringEvaluationTask()

denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask ( GAParameters  gaSettings,
Candidate  offspring,
Candidate  sibling,
String  workDir,
Population  popln,
Monitor  mnt,
String  fileUID,
boolean  replaceWorstPopMember 
)

Member Function Documentation

◆ call()

Object denoptim.ga.OffspringEvaluationTask.call ( ) throws DENOPTIMException, Exception

Definition at line 111 of file OffspringEvaluationTask.java.

References denoptim.ga.Population.add(), denoptim.fragspace.FragmentSpace.addFusedRingsToFragmentLibrary(), denoptim.graph.DGraph.clone(), denoptim.task.Task.completed, denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.task.FitnessTask.dGraph, denoptim.task.Task.errMsg, denoptim.logging.CounterID.FAILEDFITNESSEVALS, denoptim.logging.CounterID.FITNESSEVALS, denoptim.task.FitnessTask.fitnessSettings, denoptim.task.FitnessTask.fitProvMol, denoptim.ga.OffspringEvaluationTask.fragSpace, denoptim.ga.OffspringEvaluationTask.gaSettings, denoptim.constants.DENOPTIMConstants.GCODETAG, denoptim.graph.Candidate.getError(), denoptim.graph.Candidate.getFitness(), denoptim.graph.Candidate.getGraph(), denoptim.graph.DGraph.getGraphId(), denoptim.graph.DGraph.getLocalMsg(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.ga.Population.getMinFitness(), denoptim.ga.Population.getMinFitnessMember(), denoptim.graph.Candidate.getName(), denoptim.programs.denovo.GAParameters.getPopulationSize(), denoptim.programs.RunTimeParameters.getRandomizer(), denoptim.programs.denovo.GAParameters.getSaveRingSystemsAsTemplatesNonScaff(), denoptim.programs.denovo.GAParameters.getSaveRingSystemsAsTemplatesScaff(), denoptim.programs.denovo.GAParameters.getSaveRingSystemsFitnessThreshold(), denoptim.graph.Candidate.getSmiles(), denoptim.graph.Candidate.getUID(), denoptim.constants.DENOPTIMConstants.GRAPHJSONTAG, denoptim.constants.DENOPTIMConstants.GRAPHTAG, denoptim.task.Task.hasException, denoptim.graph.Candidate.hasFitness, denoptim.constants.DENOPTIMConstants.INCHIKEYTAG, denoptim.logging.Monitor.increase(), denoptim.ga.Population.isWithinPercentile(), denoptim.programs.denovo.GAParameters.keepBestSibling, denoptim.fitness.FitnessParameters.make3dTree(), denoptim.ga.OffspringEvaluationTask.mnt, denoptim.ga.OffspringEvaluationTask.molName, denoptim.ga.OffspringEvaluationTask.population, denoptim.constants.DENOPTIMConstants.PROVENANCE, denoptim.ga.Population.remove(), denoptim.graph.DGraph.replaceUnusedRCVsWithCapps(), denoptim.ga.OffspringEvaluationTask.replaceWorstPopMember, denoptim.task.FitnessTask.result, denoptim.task.FitnessTask.runFitnessProvider(), denoptim.ga.OffspringEvaluationTask.sibling, denoptim.constants.DENOPTIMConstants.SMILESTAG, denoptim.task.Task.thrownExc, denoptim.graph.DGraph.toJson(), denoptim.graph.DGraph.toString(), and denoptim.constants.DENOPTIMConstants.UNIQUEIDTAG.

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Member Data Documentation

◆ fragSpace

FragmentSpace denoptim.ga.OffspringEvaluationTask.fragSpace
private

The fragment space.

Definition at line 62 of file OffspringEvaluationTask.java.

Referenced by denoptim.ga.OffspringEvaluationTask.call().

◆ gaSettings

GAParameters denoptim.ga.OffspringEvaluationTask.gaSettings
private

Parameters controlling GA experiments.

Definition at line 57 of file OffspringEvaluationTask.java.

Referenced by denoptim.ga.OffspringEvaluationTask.call(), and denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask().

◆ mnt

volatile Monitor denoptim.ga.OffspringEvaluationTask.mnt
private

◆ molName

final String denoptim.ga.OffspringEvaluationTask.molName
private

◆ population

volatile Population denoptim.ga.OffspringEvaluationTask.population
private

◆ replaceWorstPopMember

final boolean denoptim.ga.OffspringEvaluationTask.replaceWorstPopMember
private

◆ sibling

Candidate denoptim.ga.OffspringEvaluationTask.sibling
private

The documentation for this class was generated from the following file: