$darkmode
DENOPTIM
|
Task that assesses the fitness of a given graph. More...
Public Member Functions | |
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) |
Protected Member Functions | |
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 | |
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... | |
Private Member Functions | |
boolean | runExternalFitness () throws DENOPTIMException |
boolean | runInternalFitness () throws DENOPTIMException |
Additional Inherited Members | |
Public Attributes inherited from denoptim.task.Task | |
Object | lock = new Object() |
Lock for addressing synchronization issues. More... | |
Task that assesses the fitness of a given graph.
Definition at line 49 of file FitnessTask.java.
denoptim.task.FitnessTask.FitnessTask | ( | FitnessParameters | settings, |
Candidate | c | ||
) |
Definition at line 109 of file FitnessTask.java.
References denoptim.graph.Candidate.getGraph(), and denoptim.utils.TaskUtils.getUniqueTaskIndex().
|
private |
true
if it is all good, false
in case of any reason for premature returning of the results (error generated in from the external tool, rejection on the candidate). DENOPTIMException | |
Exception |
Definition at line 197 of file FitnessTask.java.
References denoptim.constants.DENOPTIMConstants.ATMPROPVERTEXID, denoptim.graph.DGraph.cleanup(), denoptim.task.FitnessTask.dGraph, denoptim.task.Task.errMsg, denoptim.task.FitnessTask.fitnessIsRequired, denoptim.task.FitnessTask.fitnessSettings, denoptim.constants.DENOPTIMConstants.FITNESSTAG, denoptim.task.FitnessTask.fitProvInputFile, denoptim.task.FitnessTask.fitProvMol, denoptim.task.FitnessTask.fitProvOutFile, denoptim.task.FitnessTask.fitProvUIDFile, denoptim.task.ProcessHandler.getErrorOutput(), denoptim.task.ProcessHandler.getExitCode(), denoptim.fitness.FitnessParameters.getExternalFitnessProvider(), denoptim.fitness.FitnessParameters.getExternalFitnessProviderInterpreter(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.graph.Candidate.getName(), denoptim.task.Task.hasException, denoptim.task.Task.lock, denoptim.constants.DENOPTIMConstants.MOLERRORTAG, denoptim.task.Task.NL, denoptim.task.Task.processHandler, denoptim.io.DenoptimIO.readAllAtomContainers(), denoptim.task.FitnessTask.result, denoptim.task.ProcessHandler.runProcess(), denoptim.graph.Candidate.setChemicalRepresentation(), denoptim.graph.Candidate.setError(), denoptim.graph.Candidate.setFitness(), denoptim.graph.Candidate.setUID(), denoptim.task.Task.thrownExc, denoptim.constants.DENOPTIMConstants.UNIQUEIDTAG, denoptim.constants.DENOPTIMConstants.UNREADABLEFILEPOSTFIX, and denoptim.task.Task.workDir.
Referenced by denoptim.task.FitnessTask.runFitnessProvider().
|
protected |
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.
DENOPTIMException |
Definition at line 126 of file FitnessTask.java.
References denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.task.FitnessTask.dGraph, denoptim.task.FitnessTask.fitnessSettings, denoptim.task.FitnessTask.fitProvInputFile, denoptim.task.FitnessTask.fitProvMol, denoptim.task.FitnessTask.fitProvOutFile, denoptim.task.FitnessTask.fitProvPNGFile, denoptim.programs.RunTimeParameters.getLogger(), denoptim.programs.RunTimeParameters.getRandomizer(), denoptim.fitness.FitnessParameters.makePictures, denoptim.utils.MoleculeUtils.moleculeToPNG(), denoptim.constants.DENOPTIMConstants.PROVENANCE, denoptim.task.FitnessTask.result, denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runInternalFitness(), denoptim.graph.Candidate.setChemicalRepresentation(), denoptim.graph.Candidate.setImageFile(), denoptim.graph.Candidate.setSDFFile(), denoptim.fitness.FitnessParameters.useExternalFitness, denoptim.fitness.FitnessParameters.writeCandidatesOnDisk, denoptim.io.DenoptimIO.writeCandidateToFile(), and denoptim.io.DenoptimIO.writeSDFFile().
Referenced by denoptim.ga.OffspringEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.call(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
private |
true
if it is all good, false
in case of any reason for premature returning of the results. DENOPTIMException | |
Exception |
Definition at line 400 of file FitnessTask.java.
References denoptim.task.Task.errMsg, denoptim.task.FitnessTask.fitnessSettings, denoptim.constants.DENOPTIMConstants.FITNESSTAG, denoptim.task.FitnessTask.fitProvMol, denoptim.fitness.FitnessParameters.getDescriptors(), denoptim.fitness.FitnessProvider.getFitness(), denoptim.fitness.FitnessParameters.getFitnessExpression(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.graph.Candidate.getName(), denoptim.constants.DENOPTIMConstants.MOLERRORTAG, denoptim.task.Task.NL, denoptim.task.FitnessTask.result, denoptim.graph.Candidate.setError(), and denoptim.graph.Candidate.setFitness().
Referenced by denoptim.task.FitnessTask.runFitnessProvider().
|
protected |
The graph representation of the entity to evaluate.
Definition at line 54 of file FitnessTask.java.
Referenced by denoptim.combinatorial.GraphBuildingTask.call(), denoptim.ga.OffspringEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.call(), denoptim.combinatorial.GraphBuildingTask.GraphBuildingTask(), denoptim.task.FitnessTask.runExternalFitness(), and denoptim.task.FitnessTask.runFitnessProvider().
|
protected |
Flag specifying if a valid fitness value is required to consider the task successfully completed.
Definition at line 100 of file FitnessTask.java.
Referenced by denoptim.task.FitnessTask.runExternalFitness().
|
protected |
Settings for the calculation of the fitness.
Definition at line 105 of file FitnessTask.java.
Referenced by denoptim.combinatorial.GraphBuildingTask.call(), denoptim.ga.OffspringEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.call(), denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runFitnessProvider(), and denoptim.task.FitnessTask.runInternalFitness().
|
protected |
The file where we store the input to the fitness provider.
Definition at line 74 of file FitnessTask.java.
Referenced by denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask(), denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runFitnessProvider(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
protected |
The chemical representation of the entity to evaluate.
We do not check for consistency between this member and the graph representation. This data structure holds also lots of attributes that are not used in all subclasses extending the FitnessTask. Moreover, it will be updated once a presumably refined molecular representation is produced by a fitness provider.
Definition at line 64 of file FitnessTask.java.
Referenced by denoptim.ga.OffspringEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.FitnessEvaluationTask(), denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runFitnessProvider(), denoptim.task.FitnessTask.runInternalFitness(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
protected |
The file where we store the final output from the fitness provider.
Definition at line 80 of file FitnessTask.java.
Referenced by denoptim.programs.fitnessevaluator.FitnessEvaluationTask.FitnessEvaluationTask(), denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask(), denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runFitnessProvider(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
protected |
The file where we store the graphical representation of the candidate (i.e., a picture).
Definition at line 87 of file FitnessTask.java.
Referenced by denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask(), denoptim.task.FitnessTask.runFitnessProvider(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
protected |
The file where we store the list of unique identifiers or previously evaluated candidates.
Definition at line 94 of file FitnessTask.java.
Referenced by denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask(), denoptim.task.FitnessTask.runExternalFitness(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().
|
protected |
The data structure holding the results of this task.
Definition at line 69 of file FitnessTask.java.
Referenced by denoptim.combinatorial.GraphBuildingTask.call(), denoptim.ga.OffspringEvaluationTask.call(), denoptim.programs.fitnessevaluator.FitnessEvaluationTask.call(), denoptim.ga.OffspringEvaluationTask.OffspringEvaluationTask(), denoptim.task.FitnessTask.runExternalFitness(), denoptim.task.FitnessTask.runFitnessProvider(), denoptim.task.FitnessTask.runInternalFitness(), and denoptim.combinatorial.GraphBuildingTask.sendToFitnessProvider().