MoleQueue Classes

MoleQueue classes handle interaction with the MoleQueue queue system for submitting calculations to programs and opening completed output files.

• Class Avogadro::MoleQueue::BatchJob
  • BatchJob
    • BatchJob::setInputGeneratorOptions()
    • BatchJob::inputGeneratorOptions()
    • BatchJob::setMoleQueueOptions()
    • BatchJob::moleQueueOptions()
    • BatchJob::moleQueueJobTemplate()
    • BatchJob::inputGenerator()
    • BatchJob::inputGenerator()
    • BatchJob::JobState
      • BatchJob::JobState::Rejected
      • BatchJob::JobState::Unknown
      • BatchJob::JobState::None
      • BatchJob::JobState::Accepted
      • BatchJob::JobState::QueuedLocal
      • BatchJob::JobState::Submitted
      • BatchJob::JobState::QueuedRemote
      • BatchJob::JobState::RunningLocal
      • BatchJob::JobState::RunningRemote
      • BatchJob::JobState::Finished
      • BatchJob::JobState::Canceled
      • BatchJob::JobState::Error
    • BatchJob::BatchId
    • BatchJob::RequestId
    • BatchJob::ServerId
    • BatchJob::BatchJob()
    • BatchJob::BatchJob()
    • BatchJob::~BatchJob()
    • BatchJob::description()
    • BatchJob::jobState()
    • BatchJob::serverId()
    • BatchJob::jobObject()
    • BatchJob::hasUnfinishedJobs()
    • BatchJob::unfinishedJobCount()
    • BatchJob::finishedJobCount()
    • BatchJob::jobCount()
    • BatchJob::submitNextJob()
    • BatchJob::lookupJob()
    • BatchJob::jobUpdated()
    • BatchJob::jobCompleted()
    • BatchJob::isTerminal()
    • BatchJob::InvalidBatchId
    • BatchJob::InvalidRequestId
    • BatchJob::InvalidServerId
• Class Avogadro::MoleQueue::InputGenerator
  • InputGenerator
    • InputGenerator::InputGenerator()
    • InputGenerator::InputGenerator()
    • InputGenerator::~InputGenerator()
    • InputGenerator::debug()
    • InputGenerator::isValid()
    • InputGenerator::options()
    • InputGenerator::displayName()
    • InputGenerator::scriptFilePath()
    • InputGenerator::setScriptFilePath()
    • InputGenerator::reset()
    • InputGenerator::generateInput()
    • InputGenerator::numberOfInputFiles()
    • InputGenerator::fileNames()
    • InputGenerator::mainFileName()
    • InputGenerator::fileContents()
    • InputGenerator::createFileHighlighter()
    • InputGenerator::hasErrors()
    • InputGenerator::clearErrors()
    • InputGenerator::errorList()
    • InputGenerator::warningList()
    • InputGenerator::setDebug()
• Class Avogadro::MoleQueue::InputGeneratorDialog
  • InputGeneratorDialog
    • InputGeneratorDialog::widget()
    • InputGeneratorDialog::widget()
    • InputGeneratorDialog::InputGeneratorDialog()
    • InputGeneratorDialog::InputGeneratorDialog()
    • InputGeneratorDialog::~InputGeneratorDialog()
    • InputGeneratorDialog::setInputGeneratorScript()
    • InputGeneratorDialog::configureBatchJob()
    • InputGeneratorDialog::setMolecule()
• Class Avogadro::MoleQueue::InputGeneratorWidget
  • InputGeneratorWidget
    • InputGeneratorWidget::inputGenerator()
    • InputGeneratorWidget::batchMode()
    • InputGeneratorWidget::configureBatchJob()
    • InputGeneratorWidget::setMolecule()
    • InputGeneratorWidget::setBatchMode()
    • InputGeneratorWidget::closeClicked()
    • InputGeneratorWidget::openJobOutput()
    • InputGeneratorWidget::showEvent()
    • InputGeneratorWidget::updateOptions()
    • InputGeneratorWidget::InputGeneratorWidget()
    • InputGeneratorWidget::~InputGeneratorWidget()
    • InputGeneratorWidget::setInputGeneratorScript()
• Class Avogadro::MoleQueue::MoleQueueDialog
  • MoleQueueDialog
    • MoleQueueDialog::widget()
    • MoleQueueDialog::widget()
    • MoleQueueDialog::SubmitOption
      • MoleQueueDialog::SubmitOption::WaitForSubmissionResponse
      • MoleQueueDialog::SubmitOption::SelectProgramFromTemplate
    • MoleQueueDialog::SubmitStatus
      • MoleQueueDialog::SubmitStatus::SubmissionSuccessful
      • MoleQueueDialog::SubmitStatus::SubmissionFailed
      • MoleQueueDialog::SubmitStatus::SubmissionAttempted
      • MoleQueueDialog::SubmitStatus::SubmissionAborted
      • MoleQueueDialog::SubmitStatus::JobFailed
      • MoleQueueDialog::SubmitStatus::JobFinished
    • MoleQueueDialog::MoleQueueDialog()
    • MoleQueueDialog::~MoleQueueDialog()
    • MoleQueueDialog::done()
    • MoleQueueDialog::submitJob()
    • MoleQueueDialog::promptForJobOptions()
• Class Avogadro::MoleQueue::MoleQueueManager
  • MoleQueueManager
    • MoleQueueManager::client()
    • MoleQueueManager::client()
    • MoleQueueManager::MoleQueueManager()
    • MoleQueueManager::~MoleQueueManager()
    • MoleQueueManager::connectIfNeeded()
    • MoleQueueManager::queueListModel()
    • MoleQueueManager::requestQueueList()
    • MoleQueueManager::queueListUpdated()
    • MoleQueueManager::instance()
• Class Avogadro::MoleQueue::MoleQueueQueueListModel
  • MoleQueueQueueListModel
    • MoleQueueQueueListModel::~MoleQueueQueueListModel()
    • MoleQueueQueueListModel::queues()
    • MoleQueueQueueListModel::programs()
    • MoleQueueQueueListModel::findQueueIndices()
    • MoleQueueQueueListModel::findProgramIndices()
    • MoleQueueQueueListModel::lookupProgram()
    • MoleQueueQueueListModel::data()
    • MoleQueueQueueListModel::flags()
    • MoleQueueQueueListModel::headerData()
    • MoleQueueQueueListModel::index()
    • MoleQueueQueueListModel::parent()
    • MoleQueueQueueListModel::rowCount()
    • MoleQueueQueueListModel::columnCount()
    • MoleQueueQueueListModel::@10
      • MoleQueueQueueListModel::@10::QueueProgramRole
    • MoleQueueQueueListModel::MoleQueueQueueListModel()
    • MoleQueueQueueListModel::setQueueList()
• Class Avogadro::MoleQueue::MoleQueueWidget
  • MoleQueueWidget
    • MoleQueueWidget::jobTemplate()
    • MoleQueueWidget::jobTemplate()
    • MoleQueueWidget::setJobTemplate()
    • MoleQueueWidget::MoleQueueWidget()
    • MoleQueueWidget::~MoleQueueWidget()
    • MoleQueueWidget::showAndSelectProgram()
    • MoleQueueWidget::submissionSuccess()
    • MoleQueueWidget::jobState()
    • MoleQueueWidget::jobCompleted()
    • MoleQueueWidget::jobSuccess()
    • MoleQueueWidget::requestId()
    • MoleQueueWidget::moleQueueId()
    • MoleQueueWidget::submissionError()
    • MoleQueueWidget::openOutput()
    • MoleQueueWidget::requestJobLookup()
    • MoleQueueWidget::setBatchMode()
    • MoleQueueWidget::batchMode()
    • MoleQueueWidget::programSelected()
    • MoleQueueWidget::configuredJob()
    • MoleQueueWidget::refreshPrograms()
    • MoleQueueWidget::submitJobRequest()
    • MoleQueueWidget::jobSubmitted()
    • MoleQueueWidget::jobFinished()
    • MoleQueueWidget::jobUpdated()
    • MoleQueueWidget::InvalidMoleQueueId