BALL
1.4.1
|
#include <BALL/VIEW/DIALOGS/molecularDynamicsDialog.h>
Dialog for performing MD simulations
Definition at line 29 of file molecularDynamicsDialog.h.
BALL::VIEW::MolecularDynamicsDialog::MolecularDynamicsDialog | ( | QWidget * | parent = NULL , |
const char * | name = "MolecularDynamicsDialog" |
||
) |
virtual BALL::VIEW::MolecularDynamicsDialog::~MolecularDynamicsDialog | ( | ) | [virtual] |
virtual void BALL::VIEW::MolecularDynamicsDialog::accept | ( | ) | [virtual, slot] |
void BALL::VIEW::MolecularDynamicsDialog::advancedOptions | ( | ) | [protected, slot] |
void BALL::VIEW::MolecularDynamicsDialog::chooseDCDFile | ( | ) | [protected, slot] |
virtual void BALL::VIEW::MolecularDynamicsDialog::enableDCDFileSelected | ( | ) | [protected, virtual, slot] |
QString BALL::VIEW::MolecularDynamicsDialog::getDCDFile | ( | ) | const |
Return the ID of the selected forcefield (see enum values in MolecularStructure)
Select the forcefield, nr are the enum values in MolecularStructure.
void BALL::VIEW::MolecularDynamicsDialog::setAmberDialog | ( | AmberConfigurationDialog * | amber_dialog | ) |
void BALL::VIEW::MolecularDynamicsDialog::setCharmmDialog | ( | CharmmConfigurationDialog * | charmm_dialog | ) |
void BALL::VIEW::MolecularDynamicsDialog::setDCDFile | ( | const String & | name | ) |
void BALL::VIEW::MolecularDynamicsDialog::setMicroCanonical | ( | bool | state | ) |
void BALL::VIEW::MolecularDynamicsDialog::setNumberOfSteps | ( | Size | steps | ) |
void BALL::VIEW::MolecularDynamicsDialog::setTemperature | ( | float | temperature | ) |
void BALL::VIEW::MolecularDynamicsDialog::setTimeStep | ( | float | time | ) |
void BALL::VIEW::MolecularDynamicsDialog::timeChanged | ( | ) | [protected, slot] |
Definition at line 113 of file molecularDynamicsDialog.h.
Definition at line 114 of file molecularDynamicsDialog.h.
Definition at line 115 of file molecularDynamicsDialog.h.