BALL
1.4.1
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#include <BALL/VIEW/DIALOGS/charmmConfigurationDialog.h>
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 String & | getFilename () const |
Protected Slots | |
virtual void | browseParameterFiles () |
Protected Member Functions | |
void | setCharmmFF (CharmmFF &charmm) |
Private Member Functions | |
String | getValue_ (const QCheckBox *box) const |
float | getValue_ (const QLineEdit *edit) const throw (Exception::InvalidFormat) |
Private Attributes | |
CharmmFF * | charmm_ |
Friends | |
class | MolecularStructure |
Dialog for changing the options of the CHARMM forcefield
Definition at line 29 of file charmmConfigurationDialog.h.
BALL::VIEW::CharmmConfigurationDialog::CharmmConfigurationDialog | ( | QWidget * | parent = NULL , |
const char * | name = "CharmmConfiguration" |
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) |
Constructor.
virtual BALL::VIEW::CharmmConfigurationDialog::~CharmmConfigurationDialog | ( | ) | [virtual] |
Destructor.
void BALL::VIEW::CharmmConfigurationDialog::accept | ( | ) | [slot] |
void BALL::VIEW::CharmmConfigurationDialog::applyTo | ( | CharmmFF & | charmm | ) | [slot] |
apply the settings to a given CHARMM force field
virtual void BALL::VIEW::CharmmConfigurationDialog::browseParameterFiles | ( | ) | [protected, virtual, slot] |
void BALL::VIEW::CharmmConfigurationDialog::chooseSolventFile | ( | ) | [slot] |
const String& BALL::VIEW::CharmmConfigurationDialog::getFilename | ( | ) | const |
String BALL::VIEW::CharmmConfigurationDialog::getValue_ | ( | const QCheckBox * | box | ) | const [private] |
float BALL::VIEW::CharmmConfigurationDialog::getValue_ | ( | const QLineEdit * | edit | ) | const throw (Exception::InvalidFormat) [private] |
void BALL::VIEW::CharmmConfigurationDialog::periodicBoundaryClicked | ( | ) | [slot] |
void BALL::VIEW::CharmmConfigurationDialog::reject | ( | ) | [slot] |
virtual void BALL::VIEW::CharmmConfigurationDialog::resetOptions | ( | ) | [virtual, slot] |
void BALL::VIEW::CharmmConfigurationDialog::setCharmmFF | ( | CharmmFF & | charmm | ) | [protected] |
friend class MolecularStructure [friend] |
Definition at line 34 of file charmmConfigurationDialog.h.
Definition at line 83 of file charmmConfigurationDialog.h.