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QString | lookupOptionType (const QString &name) const |
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bool | optionString (const QString &option, QString &value) const |
| Search for an option named option and convert its value to a string. More...
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QString | generateJobTitle () const |
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void | buildOptionGui () |
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void | combinedOptionRow (const QString &label1, const QString &label2, const QString &tr1, const QString &tr2, QJsonObject &options) |
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void | addOptionRow (const QString &key, const QString &label, const QJsonValue &option) |
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QWidget * | createOptionWidget (const QJsonValue &option) |
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QWidget * | createStringListWidget (const QJsonObject &obj) |
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QWidget * | createStringWidget (const QJsonObject &obj) |
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QWidget * | createFilePathWidget (const QJsonObject &obj) |
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QWidget * | createIntegerWidget (const QJsonObject &obj) |
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QWidget * | createFloatWidget (const QJsonObject &obj) |
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QWidget * | createBooleanWidget (const QJsonObject &obj) |
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void | setOptionDefaults () |
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void | setOption (const QString &name, const QJsonValue &defaultValue) |
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void | setStringListOption (const QString &name, const QJsonValue &value) |
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void | setStringOption (const QString &name, const QJsonValue &value) |
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void | setFilePathOption (const QString &name, const QJsonValue &value) |
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void | setIntegerOption (const QString &name, const QJsonValue &value) |
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void | setFloatOption (const QString &name, const QJsonValue &value) |
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void | setBooleanOption (const QString &name, const QJsonValue &value) |
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QtGui::Molecule * | m_molecule |
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QJsonObject | m_options |
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QJsonObject | m_optionCache |
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QList< QTextEdit * > | m_dirtyTextEdits |
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bool | m_empty |
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bool | m_batchMode |
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QFormLayout * | m_currentLayout |
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QWidget * | m_centralWidget |
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QMap< QString, QWidget * > | m_widgets |
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QMap< QString, QTextEdit * > | m_textEdits |
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<avogadro/molequeue/inputgeneratorwidget.h>
- See also
- InputGenerator InputGeneratorDialog
The InputGeneratorWidget creates a GUI to represent the options given by an input generator script, and has some utilities for job submission through MoleQueue.
By default, the widget will configure input files for a single molecule, which can be either written to disk or submitted for processing with MoleQueue.
By enabling batch mode (setBatchMode()), the current molecule is used to configure a calculation for submission to MoleQueue, and the parameters are saved. These may be used to configure and submit jobs for other molecules.