BALL 1.5.0
Loading...
Searching...
No Matches
BALL::VIEW::CharmmConfigurationDialog Class Reference

#include <BALL/VIEW/DIALOGS/charmmConfigurationDialog.h>

Inheritance diagram for BALL::VIEW::CharmmConfigurationDialog:
QDialog BALL::VIEW::PreferencesEntry

Public Slots

virtual void resetOptions ()
void accept ()
void reject ()
void applyTo (CharmmFF &charmm)
 apply the settings to a given CHARMM force field
void chooseSolventFile ()
void periodicBoundaryClicked ()

Public Member Functions

 CharmmConfigurationDialog (QWidget *parent=NULL, const char *name="CharmmConfiguration")
 Constructor.
virtual ~CharmmConfigurationDialog ()
 Destructor.
const StringgetFilename () const
Public Member Functions inherited from BALL::VIEW::PreferencesEntry
 PreferencesEntry ()
virtual ~PreferencesEntry ()
virtual void writePreferenceEntries (INIFile &inifile)
 Store the settings of all registered objects.
virtual void readPreferenceEntries (const INIFile &inifile)
 Restore the settings of all registered objects.
void setINIFileSectionName (const String &name)
 Set the name for the section in the INIFile.
const StringgetINIFileSectionName () const
 Get the name for the section in the INIFile.
void setWidgetStackName (const String &name)
StackPagesgetStackPages ()
 Return all pages, that are to be shown in a parent QStackedWidget.
void setWidgetStack (QStackedWidget *stack)
virtual void showStackPage (Position nr)
 Show the specified page in the QStackedWidget.
virtual void showStackPage (QWidget *widget)
 Show the specified page in the QStackedWidget.
virtual Position currentStackPage () const
 Get the currently shown page in the QStackedWidget.
virtual void restoreDefaultValues (bool all=false)
 Set all registered objects to their default values.
virtual void storeValues ()
virtual void restoreValues (bool all=false)
virtual void dump (std::ostream &s=std::cout, Size depth=0) const
virtual bool setValueAllowed (QObject *)
 Allows to prevent restoring of widgets.

Protected Slots

virtual void browseParameterFiles ()

Protected Member Functions

void setCharmmFF (CharmmFF &charmm)
Protected Member Functions inherited from BALL::VIEW::PreferencesEntry
void registerWidgets_ ()
void registerObject_ (QObject *widget)
void unregisterObject_ (QObject *widget)
BALL_DEPRECATED void registerWidgetForHelpSystem_ (const QWidget *, const String &)
void restoreValues_ (bool all, const ValueMap &map)
void insertStackEntry_ (QWidget *, const String &name)
bool isSupported_ (QObject &widget)
bool getValue_ (const QObject *widget, String &value)
bool setValue_ (QObject *widget, const String &value)

Friends

class MolecularStructure

Additional Inherited Members

Public Types inherited from BALL::VIEW::PreferencesEntry
typedef std::list< std::pair< QWidget *, String > > StackPages
Protected Types inherited from BALL::VIEW::PreferencesEntry
typedef HashMap< const QObject *, StringValueMap
Protected Attributes inherited from BALL::VIEW::PreferencesEntry
String inifile_section_name_
HashSet< QObject * > registered_objects_
ValueMap default_values_
ValueMap last_values_
QStackedWidget * widget_stack_
StackPages stack_pages_

Detailed Description

Dialog for changing the options of the CHARMM forcefield

Definition at line 29 of file charmmConfigurationDialog.h.

Constructor & Destructor Documentation

◆ CharmmConfigurationDialog()

BALL::VIEW::CharmmConfigurationDialog::CharmmConfigurationDialog ( QWidget * parent = NULL,
const char * name = "CharmmConfiguration" )

Constructor.

◆ ~CharmmConfigurationDialog()

virtual BALL::VIEW::CharmmConfigurationDialog::~CharmmConfigurationDialog ( )
virtual

Destructor.

Member Function Documentation

◆ accept

void BALL::VIEW::CharmmConfigurationDialog::accept ( )
slot

◆ applyTo

void BALL::VIEW::CharmmConfigurationDialog::applyTo ( CharmmFF & charmm)
slot

apply the settings to a given CHARMM force field

◆ browseParameterFiles

virtual void BALL::VIEW::CharmmConfigurationDialog::browseParameterFiles ( )
protectedvirtualslot

◆ chooseSolventFile

void BALL::VIEW::CharmmConfigurationDialog::chooseSolventFile ( )
slot

◆ getFilename()

const String & BALL::VIEW::CharmmConfigurationDialog::getFilename ( ) const

◆ periodicBoundaryClicked

void BALL::VIEW::CharmmConfigurationDialog::periodicBoundaryClicked ( )
slot

◆ reject

void BALL::VIEW::CharmmConfigurationDialog::reject ( )
slot

◆ resetOptions

virtual void BALL::VIEW::CharmmConfigurationDialog::resetOptions ( )
virtualslot

◆ setCharmmFF()

void BALL::VIEW::CharmmConfigurationDialog::setCharmmFF ( CharmmFF & charmm)
protected

◆ MolecularStructure

friend class MolecularStructure
friend

Definition at line 34 of file charmmConfigurationDialog.h.