Avogadro::MoleQueue::BatchJob

class BatchJob : public QObject

The BatchJob class manages a collection of jobs that are configured using the same InputGenerator and MoleQueue options. For use with InputGeneratorDialog::configureBatchJob(BatchJob&).

Unnamed Group

inline void setInputGeneratorOptions(const QJsonObject &opts)

Options for the input generator.

inline QJsonObject inputGeneratorOptions() const

Options for the input generator.

Unnamed Group

inline void setMoleQueueOptions(const QJsonObject &opts)

Options for MoleQueue.

inline QJsonObject moleQueueOptions() const

Options for MoleQueue.

inline JobObject moleQueueJobTemplate() const

Options for MoleQueue.

Unnamed Group

inline const InputGenerator &inputGenerator() const

The internal InputGenerator.

inline InputGenerator &inputGenerator()

The internal InputGenerator.

Public Types

enum JobState

Job status. Same as those defined in molequeueglobal.h. The ‘Rejected’ state is added to identify jobs that rejected by molequeue prior to having a MoleQueue id (ServerId) set.

Values:

enumerator Rejected

enumerator Unknown

enumerator None

enumerator Accepted

enumerator QueuedLocal

enumerator Submitted

enumerator QueuedRemote

enumerator RunningLocal

enumerator RunningRemote

enumerator Finished

enumerator Canceled

enumerator Error

using BatchId = int

Type used to identify a job within this batch. Unique to this object.

using RequestId = int

Type used to identify requests sent to the MoleQueue server.

using ServerId = unsigned int

Type used by MoleQueue to identify jobs. Unique across the connected MoleQueue server.

Public Functions

explicit BatchJob(QObject *parent = nullptr)

Construct a new BatchJob object. If provided, ese scriptFilePath to setup the input generator.

explicit BatchJob(const QString &scriptFilePath, QObject *parent = nullptr)

~BatchJob() override = default

inline QString description() const

A string that will be used in the MoleQueue interface to identify this batch job. Taken from the InputGenerator configured title.

inline JobState jobState(BatchId batchId) const

Returns:

The state of the job with the batch id batchId.

inline ServerId serverId(BatchId batchId) const

Returns:

The server id of the job with the batch id batchId.

inline JobObject jobObject(BatchId batchId) const

Returns:

The most recent JobObject for the job with the batch id batchId. These are updated for each change in job state.

inline bool hasUnfinishedJobs() const

Returns:

True if there are still running jobs.

inline int unfinishedJobCount() const

Returns:

The number of jobs that are running.

inline int finishedJobCount() const

Returns:

The number of completed jobs.

inline int jobCount() const

Returns:

The total number of jobs in the batch.

Public Slots

virtual BatchId submitNextJob(const Core::Molecule &mol)

Submit a job using the current configuration for mol.

Returns:

The BatchId of the job, or InvalidBatchId if there was an error.

bool lookupJob(BatchId batchId)

Request updated job details from the MoleQueue server for the job with the batch id batchId.

jobUpdated is emitted when the request is complete.

Returns:

True if the request is sent.

Signals

void jobUpdated(Avogadro::MoleQueue::BatchJob::BatchId batchId, bool success)

Emitted when the reply from lookupJob is received. success will be false if MoleQueue sends an error response (likely because the job was removed from the job manager).

void jobCompleted(Avogadro::MoleQueue::BatchJob::BatchId batchId, Avogadro::MoleQueue::BatchJob::JobState status)

Emitted when the job associated with batchId completes. status is the final state of the jobs and can be used to determine whether or not the job finished successfully.

Public Static Functions

static inline bool isTerminal(JobState state)

Returns:

True if state corresponds to a job that is finished running.

Public Static Attributes

static const BatchId InvalidBatchId

static const RequestId InvalidRequestId

static const ServerId InvalidServerId