AvogadroLibs  1.93.1
Signals | Public Member Functions | Protected Slots | List of all members
SurfaceDialog Class Reference

The SurfaceDialog presents various properties that have been read in from a quantum output file and provides interface to initiate calculations.

#include <surfacedialog.h>

Inheritance diagram for SurfaceDialog:

Signals

void stepChanged (int n)
 
void calculateClickedSignal ()
 
void recordClicked ()
 

Public Member Functions

 SurfaceDialog (QWidget *parent=0, Qt::WindowFlags f=0)
 
void setupBasis (int numElectrons, int numMOs, bool beta)
 
void setupCubes (QStringList cubeNames)
 
void setupSteps (int stepCount)
 
void reenableCalculateButton ()
 
void enableRecord ()
 
Surfaces::Type surfaceType ()
 
int surfaceIndex ()
 
bool beta ()
 
float isosurfaceValue ()
 
float resolution ()
 
int step ()
 
void setStep (int step)
 

Protected Slots

void surfaceComboChanged (int n)
 
void resolutionComboChanged (int n)
 
void calculateClicked ()
 
void record ()
 

Member Function Documentation

◆ surfaceIndex()

int surfaceIndex ( )

This holds the value of the molecular orbital at present.

◆ beta()

bool beta ( )

Only relevant for electronic structure, was the beta orbital selected?


The documentation for this class was generated from the following file: