BALL::VIEW::MMFF94ConfigurationDialog Class Reference

#include <BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h>

Inheritance diagram for BALL::VIEW::MMFF94ConfigurationDialog:
QDialog Ui_MMFF94ConfigurationDialogData BALL::VIEW::PreferencesEntry

List of all members.

Public Slots

virtual void resetOptions ()
void accept ()
void reject ()
void applyTo (MMFF94 &mmff)
 apply the settings to a given MMFF94 force field

Public Member Functions

 MMFF94ConfigurationDialog (QWidget *parent=NULL, const char *name="MMFF94ConfigurationDialog")
 Constructor.
virtual ~MMFF94ConfigurationDialog ()
 Destructor.

Protected Slots

virtual void browseParameterFiles ()

Protected Member Functions

void setMMFF94 (MMFF94 &mmff)
void chooseSolventFile ()

Private Member Functions

String getValue_ (const QCheckBox *box) const
float getValue_ (const QLineEdit *edit) const throw (Exception::InvalidFormat)

Private Attributes

MMFF94mmff_

Friends

class MolecularStructure

Detailed Description

Dialog for changing the options of the MMFF94 forcefield


Constructor & Destructor Documentation

BALL::VIEW::MMFF94ConfigurationDialog::MMFF94ConfigurationDialog ( QWidget parent = NULL,
const char *  name = "MMFF94ConfigurationDialog" 
)

Constructor.

virtual BALL::VIEW::MMFF94ConfigurationDialog::~MMFF94ConfigurationDialog ( ) [virtual]

Destructor.


Member Function Documentation

void BALL::VIEW::MMFF94ConfigurationDialog::accept ( ) [slot]
void BALL::VIEW::MMFF94ConfigurationDialog::applyTo ( MMFF94 mmff) [slot]

apply the settings to a given MMFF94 force field

virtual void BALL::VIEW::MMFF94ConfigurationDialog::browseParameterFiles ( ) [protected, virtual, slot]
void BALL::VIEW::MMFF94ConfigurationDialog::chooseSolventFile ( ) [protected]
String BALL::VIEW::MMFF94ConfigurationDialog::getValue_ ( const QCheckBox *  box) const [private]
float BALL::VIEW::MMFF94ConfigurationDialog::getValue_ ( const QLineEdit edit) const throw (Exception::InvalidFormat) [private]
void BALL::VIEW::MMFF94ConfigurationDialog::reject ( ) [slot]
virtual void BALL::VIEW::MMFF94ConfigurationDialog::resetOptions ( ) [virtual, slot]
void BALL::VIEW::MMFF94ConfigurationDialog::setMMFF94 ( MMFF94 mmff) [protected]

Friends And Related Function Documentation

friend class MolecularStructure [friend]

Member Data Documentation