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Class List
Here are the classes, structs, unions and interfaces with brief descriptions:

Avogadro |
Core |
internal |
ArrayRefContainer |
AngleIterator |
Array | Base class for array containers
AtomTemplate |
AtomTyper | The AtomTyper class provides a base interface for generating a list of type identifiers describing the atoms in a molecule
AtomUtilities |
AvoSpglib | Interface between Avogadro and Spglib
BasisSet | BasisSet contains basis set data
BondTemplate |
Color3f | Representation of an RGB color using three floats
Constraint | Constraints for optimization / dynamics
CoordinateBlockGenerator | Creates an aligned, formatted block of atomic coordinates
ArraySet | Base class for array type containers
PlaceHolder |
Holder |
CoordinateSet | Templated class for array type containers
CrystalTools | Collection of static functions that perform common crystallographic operations on a Core::Molecule
Cube | Provide a data structure for regularly spaced 3D grids
DihedralIterator |
Elements | Stores basic data about chemical elements
GaussianSet | A container for Gaussian type outputs from QM codes
GaussianSetTools | Provide tools to calculate molecular orbitals, electron densities and other derived data stored in a GaussianSet result
Graph | Graph data structure
InternalCoordinate |
Layer | Relation one to one between atoms ID and layer ID, and stores the unique active layer. Layer's ID are consecutively and there can't be a ID bigger than `m_maxLayer`
LayerData | Interface to store layer data structure
MoleculeInfo | All layer dependent data. Original molecule `mol`, is layer hidden `visible`, accepts edits `locked`, and key-value data like `enable`, and custom data `settings`
LayerManager |
Mesh | Encapsulation of a triangular mesh that makes up a surface
Molecule | Chemical molecule
Atom |
Bond |
Mutex | Simple wrapper for the C++11 mutex class
NameAtomTyper | Simple implementation of AtomTyper that assigns element names to each atom
NeighborPerceiver | This class can be used to find physically neighboring points in linear average time
Residue | Chemical residue, used commonly in the PDB format
ResidueData |
RingPerceiver |
hBondRecord |
SecondaryStructureAssigner |
SharedMutex | Simple wrapper for the C++17 shared_mutex class
SlaterSet | SlaterSet Class
SlaterSetTools | Provide tools to calculate molecular orbitals, electron densities and other derived data stored in a GaussianSet result
SpaceGroups | The Spacegroups class stores basic data about crystal spacegroups
SymbolAtomTyper | Simple implementation of AtomTyper that assigns element symbols to each atom
UnitCell | Representation of a crystal's unit cell
Variant | Union of data values
VariantMap | Map between string keys and variant values
Calc |
ChargeManager | Class to manage registration, searching and creation of partial charge models
ChargeModel | General API for charge / electrostatics models
DefaultModel | Default charge model for file-provided atomic charges
EnergyCalculator |
EnergyManager | Class to manage registration, searching and creation of force field (energy) calculators
OptimizationOptions |
LennardJones |
UFF |
Io |
CjsonFormat | Implementation of the Chemical JSON format
CmlFormat | Implementation of the Chemical Markup Language format
CMsgPackFormat | Implementation of the Chemical MessagePack format
DcdFormat | Implementation of the generic dcd trajectory format
FileFormat | General API for file formats
CaseInsensitiveComparator | Class to handle case-insensitive comparisons of file extensions. Adapted from https://stackoverflow.com/a/3009806/131896
lowerCaseCompare |
FileFormatManager | Class to manage registration, searching and creation of file formats
GromacsFormat | Simple GROMACS .gro file reader
Hdf5DataFormat | Access to data stored in HDF5 files
LammpsTrajectoryFormat | Implementation of the generic lammps trajectory format
LammpsDataFormat |
MdlFormat | Implementation of the generic MDL format
MMTFFormat | Implementation of the MMTF format
PdbFormat | Parser for the PDB format
SdfFormat | Implementation of the generic SDF format
TrrFormat | Implementation of the generic trr trajectory format
TurbomoleFormat | Implementation of the Turbomole coord format
PoscarFormat | Implementation of the generic POSCAR format
OutcarFormat |
XyzFormat | Implementation of the generic xyz format
MoleQueue |
BatchJob | Manages a collection of jobs that are configured using the same InputGenerator and MoleQueue options. For use with InputGeneratorDialog::configureBatchJob(BatchJob&)
Client | Used by clients to submit jobs to a running MoleQueue server
JobObject | Simple client-side representation for a MoleQueue job
JsonRpcClient | Used by clients to submit calls to an RPC server using JSON-RPC 2.0
InputGenerator | Interface to input generator scripts
InputGeneratorDialog | Thin wrapper around InputGeneratorWidget for standalone use
InputGeneratorWidget | User interface for configuring, saving, editing, and running input files produced by InputGenerator scripts
MoleQueueDialog | Thin wrapper around MoleQueueWidget for standalone use
MoleQueueManager | Access to a MoleQueue server
MoleQueueQueueListModel | Qt item model representing the tree of available queues and programs in a running MoleQueue process
MoleQueueWidget | Widget for configuring and submitting a MoleQueue::JobObject
QtGui |
BackgroundFileFormat | Thin QObject wrapper around an instance of Io::FileFormat
CalcWorker | Worker object that runs EnergyCalculator computations on a dedicated QThread
ChartDialog | Dialog window for displaying a chart via ChartWidget
ChartWidget | A Qt widget for displaying charts via JKQtPlotter
ColorButton | A button to show the current color and bring up the QColorDialog
ContainerWidget | A widget that contains a single view widget, along with standard buttons for splitting, maximizing, closing
CustomElementDialog | Dialog window for mapping custom elements into elemental types
ElementDetail |
ElementItem |
ElementTranslator | Internationalization of element names
ExtensionPlugin | The base class for extension plugin factories in Avogadro
ExtensionPluginFactory | The base class for extension plugin factories in Avogadro
FileBrowseWidget |
FileFormatDialog |
GaussianSetConcurrent | Uses GaussianSetTools to calculate values of electronic structure properties from quantum output read in
GenericHighlighter | Regexp-based programmable syntax highlighter
Rule | Stores a syntax highlighting rule as a set of QRegularExpression patterns and a text format
HydrogenTools |
InsertFragmentDialog | Dialog to prompt a format and descriptor string
InterfaceScript | The Interface class provides an interface to external scripts
InterfaceWidget | User interface for running external scripts
JsonWidget | User interface for running external scripts
LayerModel | UI for the layer dock
MeshGenerator | Class that can generate Mesh objects from Cube objects
gridEdge |
Molecule | A QObject derived molecule object with signals/slots
MoleculeSystem |
MoleculeModel | A model containing molecules
MultiViewWidget | A widget that contains other views, taking on responsibility for defining the active view, the layout of the subviews and ownership of the widgets
PackageManager | Singleton that manages pyproject.toml-based plugin packages
PackageInfo |
PeriodicTableScene |
PeriodicTableView | This class implements the view of the periodic table showing all elements
PersistentAtom | The PersistentAtom object provides a container for a persistent atom reference that can be held onto. The atom() method gets the underlying atom using the unique ID mechanism of the molecule
PersistentBond | The PersistentBond object provides a container for a persistent bond reference that can be held onto. The bond() method gets the underlying bond using the unique ID mechanism of the molecule
PluginLayerManager | Set of common layer dependent operators useful for Layer dependent QtPlugins
PythonScript | Implements a interface for calling short-lived python utility scripts
RichTextDelegate |
RWLayerManager | The RWLayerManager do and undo for layer actions
RWMolecule | Editable molecule class that automatically populates an undo stack
UndoCommand |
RWAtom |
RWBond |
ScenePlugin |
ScenePluginFactory | The base class for scene plugin factories in Avogadro
ScenePluginModel | A model containing scene plugins that will build up the scene
SlaterSetConcurrent | Uses SlaterSetTools to calculate values of electronic structure properties from quantum output read in
SortFilterTreeProxyModel |
TimedProgressDialog | A progress dialog with a time remaining label
ToolPlugin | The base class for plugins that interact with QtOpenGL::GLWidget
ToolPluginFactory | The base class for tool plugin factories in Avogadro
ViewFactory | Pure virtual that provides a method of dynamically adding views to the MultiViewWidget class
Array | Base class for array containers
UnitCell | Representation of a crystal's unit cell
Rendering |
AmbientOcclusionSphereGeometry | One or more spheres
ArcSector | Convenience class for creating an arc disk (e.g., part of a circle) from a MeshGeometry
ArcStrip | Convenience class for creating an arc line (e.g., the edge of a circle)
ArrowGeometry | Used to store sets of line strips
Arrow |
BezierGeometry |
BSplineGeometry |
BufferObject | Buffer object to store geometry/attribute data on the GPU
EigenData |
Camera | Utility functionality useful in camera's used with 3D scenes
Cartoon |
ShaderInfo |
Point |
Line |
CurveGeometry |
CylinderColor |
CylinderGeometry | The CylinderGeometry contains one or more cylinders
DashedLineGeometry | Used to store sets of dashed lines
PackedVertex |
Drawable | The base class for all drawable geometry and types
GeometryNode | Common base of all geometry nodes
GeometryVisitor | Visitor that determines the geometry of the scene
GLRenderer | Render the scene using OpenGL calls
GLRenderVisitor | Visitor that takes care of rendering the scene
GroupNode | Common API for grouping child nodes
NodeInfo |
LineStripGeometry | Used to store sets of line strips
PackedVertex |
MeshGeometry | The MeshGeometry is used for triangle mesh geometry
Node | Base class for all items in the scene
PackedVertex | Packed vertex structure for efficient GPU transfer
PLYVisitor | Visitor that visits scene elements and creates a PLY input file
POVRayVisitor | Visitor that visits scene elements and creates a POV-Ray input file
Identifier |
Primitive |
Identifier |
Sphere |
Cylinder |
Quad | Convenience class for creating a quadrilateral mesh
QuadOutline | Convenience class for creating a quadrilateral outline as a LineStripGeometry
ColorTextureVertex | Pack the vertex data into a contiguous array
ColorNormalVertex | Pack the vertex data into a contiguous array
Scene | The Scene contains data ready to be rendered
Shader | Vertex or Fragment shader, combined into a ShaderProgram
ShaderProgram | The ShaderProgram uses one or more Shader objects
SolidPipeline |
SphereColor |
SphereGeometry | One or more spheres
TextLabel2D | Renders text in an overlay plane, anchored to a point in window coordinates
TextLabel3D | Renders billboarded text that is anchored to a point in world coordinates
TextLabelBase | Generic implementation of a text drawable
TextProperties | Controls formatting options for text
TextRenderStrategy | Defines an interface for generating text images
Texture2D | Manages texture resources in graphics libraries
TransformNode | Applies a transform to all child nodes
VertexArrayObject | Vertex Array Object to capture vertex attribute state
Visitor | Base class for all Node visitors
VolumeGeometry | Demonstrates volume rendering with an offscreen pass and a fullscreen quad
VRMLVisitor | Visitor that visits scene elements and creates a VRML input file
WideLineGeometry | Renders line segments as camera-facing quads for wide line support
PackedVertex |
QtOpenGL |
ActiveObjects | Singleton to provide access to active objects
GLWidget | QOpenGLGLWidget derived object for displaying 3D molecular geometry
QtTextRenderStrategy | Uses the Qt toolkit to render text
QuantumIO |
GUKBasisSet |
GamessukOut |
GAMESSUSOutput |
GaussianCube |
GaussianFchk |
GenericJson |
GenericOutput |
MoldenFile |
MopacAux |
NWChemJson | Implementation of the NWChem JSON format
NWChemLog |
ORCAOutput |
QCSchema | Implementation of the MolSSI QCSchema format and WebMO variant
TypeTraits |
TypeTraits< char > |
TypeTraits< unsigned char > |
TypeTraits< short > |
TypeTraits< unsigned short > |
TypeTraits< int > |
TypeTraits< unsigned int > |
TypeTraits< float > |
TypeTraits< double > |
Frustrum |
parameter |