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
- 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::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