InputGeneratorWidget Class Reference

The InputGeneratorWidget class provides a user interface for configuring, saving, editing, and running input files produced by InputGenerator scripts. More...

#include <inputgeneratorwidget.h>

Inheritance diagram for InputGeneratorWidget:

Public Member Functions
	InputGeneratorWidget (QWidget *parent_=nullptr)
void	setInputGeneratorScript (const QString &scriptFilePath)
Public Member Functions inherited from JsonWidget
	JsonWidget (QWidget *parent_=nullptr)
virtual void	setMolecule (QtGui::Molecule *mol)
QJsonObject	collectOptions () const
void	applyOptions (const QJsonObject &opts)
bool	isEmpty () const
const InputGenerator &	inputGenerator () const
bool	batchMode () const
bool	configureBatchJob (BatchJob &batch) const
void	setMolecule (QtGui::Molecule *mol) override
void	setBatchMode (bool m)
void	closeClicked ()
	closeClicked is emitted when the close button is clicked.
void	openJobOutput (const JobObject &job)
void	showEvent (QShowEvent *e) override
void	updateOptions () override

Additional Inherited Members
Protected Member Functions inherited from JsonWidget
QString	lookupOptionType (const QString &name) const
bool	optionString (const QString &option, QString &value) const
	Search for an option named option and convert its value to a string. More...
QString	generateJobTitle () const
void	buildOptionGui ()
void	combinedOptionRow (const QString &label1, const QString &label2, const QString &tr1, const QString &tr2, QJsonObject &options)
void	addOptionRow (const QString &key, const QString &label, const QJsonValue &option)
QWidget *	createOptionWidget (const QJsonValue &option)
QWidget *	createStringListWidget (const QJsonObject &obj)
QWidget *	createStringWidget (const QJsonObject &obj)
QWidget *	createFilePathWidget (const QJsonObject &obj)
QWidget *	createIntegerWidget (const QJsonObject &obj)
QWidget *	createFloatWidget (const QJsonObject &obj)
QWidget *	createBooleanWidget (const QJsonObject &obj)
void	setOptionDefaults ()
void	setOption (const QString &name, const QJsonValue &defaultValue)
void	setStringListOption (const QString &name, const QJsonValue &value)
void	setStringOption (const QString &name, const QJsonValue &value)
void	setFilePathOption (const QString &name, const QJsonValue &value)
void	setIntegerOption (const QString &name, const QJsonValue &value)
void	setFloatOption (const QString &name, const QJsonValue &value)
void	setBooleanOption (const QString &name, const QJsonValue &value)
Protected Attributes inherited from JsonWidget
QtGui::Molecule *	m_molecule
QJsonObject	m_options
QJsonObject	m_optionCache
QList< QTextEdit * >	m_dirtyTextEdits
bool	m_empty
bool	m_batchMode
QFormLayout *	m_currentLayout
QWidget *	m_centralWidget
QMap< QString, QWidget * >	m_widgets
QMap< QString, QTextEdit * >	m_textEdits

Detailed Description

<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.

Constructor & Destructor Documentation

InputGeneratorWidget()

InputGeneratorWidget ( QWidget *  parent_ = nullptr )

explicit

Construct a widget that dynamically generates a GUI to configure the InputGenerator script specified by scriptFilePath.

Member Function Documentation

setInputGeneratorScript()

void setInputGeneratorScript

(

const QString &

scriptFilePath

)

Use the input generator script pointed to by scriptFilePath.

Parameters

scriptFilePath

Absolute path to generator script.

inputGenerator()

const InputGenerator & inputGenerator

(

)

const

Access to the underlying input generator object.

batchMode()

bool batchMode

(

)

const

Returns

True if the widget is in batch mode. See the class documentation for details. Default is false.

configureBatchJob()

bool configureBatchJob

(

BatchJob &

batch

)

const

Collect the current calculation parameters and prompt for MoleQueue options. Both option sets are stored in batch.

setMolecule()

void setMolecule ( QtGui::Molecule *  mol )

overridevirtual

Access to the underlying input generator object.

Reimplemented from JsonWidget.

setBatchMode

void setBatchMode ( bool  m )

slot

Enable/disable 'template mode'. See the class documentation for details. Default is off.

openJobOutput

void openJobOutput ( const JobObject &  job )

signal

Emitted when the user requests that a job's output be loaded in Avogadro.

showEvent()

void showEvent ( QShowEvent *  e )

overrideprotected

Reimplemented to update preview text. Hidden dialogs will wait until they are reshown to update the text to prevent overwriting any modified buffers.

updateOptions()

void updateOptions ( )

overrideprotectedvirtual

Access to the underlying input generator object.

Reimplemented from JsonWidget.

---

The documentation for this class was generated from the following file:

• inputgeneratorwidget.h