AboutBox | This class shows an About Box |
AtomSet | Stores the atoms of a molecular system |
Basisset | Provides an interface to the basissets available in the program |
BraboBase | Allows generating an input file for the program Brabo |
BraboBase::WidgetData | A struct for saving the contents of all BraboWidget widgets |
BraboBase::XMLData | A struct representing the XML dictRef values for all the data from WidgetData |
Calculation | This class handles running a Brabo calculation |
ColorButton | Provides a button for selecting a color |
CrdFactory | Allows loading and saving of a number of coordinate file formats |
CrdView | This class is a lightweight version of Xbrabo |
DensityBase | This class allows changing the representation of density isosurfaces |
DensityBase::SurfaceProperties | Contains the properties of a surface |
DensityLoadThread | This class loads the density data for the class DensityBase |
DomUtils | This is a utility class used to read and make nodes in a QDomDocument |
GLBaseParameters | A struct containing all the basic OpenGL parameters pertaining the lighting, quality, material and other properties |
GLMoleculeParameters | Struct containing OpenGL parameters specific to the visualisation of molecules |
GLMoleculeView | This class shows a molecule and various properties in 3D using OpenGL |
GlobalBase | This class allows setup of the global calculation options |
GlobalBase::WidgetData | Struct local to the class GLobalBase containing the data pertaining to all widgets |
GLOrbitalView | This class shows an orbital in 3D using OpenGL |
GLSimpleMoleculeView | This class shows a molecule in 3D using OpenGL |
GLSimpleMoleculeView::ShapeProperties | Utility struct for sorting of shapes by decreasing opacity |
GLView | This class serves as a base class for the OpenGL visualization classes |
IconSets | Stores all icons used in the program |
IsoSurface | Generates an isosurface from a list of 3D density points |
IsoSurface::Triangle | A utility struct containing the ID's of 3 points making up a triangle |
Latin1Validator | This class validates QString's so they only contain latin1 characters |
NewAtomBase | Allows the addition of a new atom |
OrbitalThread | This class calculates Hydrogen orbitals for visualisation in 3D in a thread |
OrbitalViewerBase | This class is a container for showing and manipulating views or orbitals |
Paths | This class of static member data contains the paths to all executables and some other directories |
PlotMapBase | This class shows 2D density maps from files created with potdicht |
PlotMapLabel | This class does the drawing of a 2D density map including isodensity lines |
Point3D< T > | This class represents a 3D point |
PreferencesBase | This class allows setup of the preferences |
PreferencesBase::WidgetData | A struct for saving the status of all widgets of PreferencesWidget |
Quaternion< T > | This class represents a quaternion (4D vector) |
RelaxBase | This class allows generation of an input file for the program Relax |
RelaxBase::ICData | A utility struct containing all data to reconstruct an internal coordinate |
RelaxBase::WidgetData | A struct representing the data from all widgets |
RelaxBase::XMLData | A struct representing the XML dictRef values for all the data from WidgetData |
StatusText | This class is used for logging events for a calculation |
Vector3D< T > | This class represents a 3D vector |
Version | This class holds the application's name, company, version and build number |
Xbrabo | This class is the main MDI widget which controls the XbraboViews |
XbraboView | This class is the MDI view widget which also holds all data pertaining a calculation |