5 #ifndef BALL_VIEW_DIALOGS_CHARMMCONFIGURATIONDIALOG_H
6 #define BALL_VIEW_DIALOGS_CHARMMCONFIGURATIONDIALOG_H
8 #ifndef BALL_COMMON_GLOBAL_H
12 #ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
16 #include <BALL/VIEW/UIC/ui_charmmConfigurationDialog.h>
24 class MolecularStructure;
31 public Ui_CharmmConfigurationDialogData,
78 String getValue_(
const QCheckBox* box)
const;
81 float getValue_(
const QLineEdit* edit)
const;
virtual ~CharmmConfigurationDialog()
Destructor.
virtual void browseParameterFiles()
const String & getFilename() const
void periodicBoundaryClicked()
virtual void resetOptions()
CharmmConfigurationDialog(QWidget *parent=NULL, const char *name="CharmmConfiguration")
Constructor.
void applyTo(CharmmFF &charmm)
apply the settings to a given CHARMM force field
void setCharmmFF(CharmmFF &charmm)