Class Avogadro::MoleQueue::InputGeneratorWidget#
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class InputGeneratorWidget : public JsonWidget#
The InputGeneratorWidget class provides a user interface for configuring, saving, editing, and running input files produced by InputGenerator scripts.
<avogadro/molequeue/inputgeneratorwidget.h>
The
InputGeneratorWidget creates a GUI to represent the options given by an input generator script, and has some utilities for job submission through MoleQueue.See also
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.
Unnamed Group
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inline const InputGenerator &inputGenerator() const#
Access to the underlying input generator object.
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inline bool batchMode() const#
- Returns:
True if the widget is in batch mode. See the class documentation for details. Default is false.
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bool configureBatchJob(BatchJob &batch) const#
Collect the current calculation parameters and prompt for MoleQueue options. Both option sets are stored in batch.
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virtual void setMolecule(QtGui::Molecule *mol) override#
Access to the underlying input generator object.
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void setBatchMode(bool m)#
Enable/disable ‘template mode’. See the class documentation for details. Default is off.
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void closeClicked()#
closeClicked is emitted when the close button is clicked.
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void openJobOutput(const JobObject &job)#
Emitted when the user requests that a job’s output be loaded in Avogadro.
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void showEvent(QShowEvent *e) override#
Reimplemented to update preview text. Hidden dialogs will wait until they are reshown to update the text to prevent overwriting any modified buffers.
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virtual void updateOptions() override#
Access to the underlying input generator object.
Public Functions
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explicit InputGeneratorWidget(QWidget *parent_ = nullptr)#
Construct a widget that dynamically generates a GUI to configure the InputGenerator script specified by scriptFilePath.
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~InputGeneratorWidget() override#
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void setInputGeneratorScript(const QString &scriptFilePath)#
Use the input generator script pointed to by scriptFilePath.
- Parameters:
scriptFilePath – Absolute path to generator script.
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inline const InputGenerator &inputGenerator() const#