Class List

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

NAvogadro
NCalc
CChargeManager	Class to manage registration, searching and creation of partial charge models
CChargeModel	General API for charge / electrostatics models
CDefaultModel	Default charge model for file-provided atomic charges
CEnergyCalculator
CEnergyManager	Class to manage registration, searching and creation of force field (energy) calculators
CFireParameters
CHybridParameters
CLbfgsParameters
CLennardJones
COptimizationOptions
COptimizerState
CUFF
NCore
Ninternal
CArrayRefContainer
CAngleIterator
CAromaticityPerceiver	Perceive which atoms and bonds belong to an aromatic system
CArray	Base class for array containers
CArraySet	Base class for array type containers
CPlaceHolder
CHolder
CAtom
CAtomTemplate
CAtomTyper	The AtomTyper class provides a base interface for generating a list of type identifiers describing the atoms in a molecule
CAtomUtilities
CAvoSpglib	Interface between Avogadro and Spglib
CBasisSet	BasisSet contains basis set data
CBond
CBondOrderOptions
CBondOrderProblem
CEdge
CBondOrderResult
CBondOrderSolution
CBondTemplate
CColor3f	Representation of an RGB color using three floats
CComponentFailure
CConformerQuantity	Something that can be measured once per coordinate set
CConstraint	Constraints for optimization / dynamics
CCoordinateBlockGenerator	Creates an aligned, formatted block of atomic coordinates
CCoordinateSet	Templated class for array type containers
CCrystalTools	Collection of static functions that perform common crystallographic operations on a Core::Molecule
CPeriodicBond	A single bond of a periodic structure
CCube	Provide a data structure for regularly spaced 3D grids
CDihedralIterator
CDummyAtomSite
CElements	Stores basic data about chemical elements
CGaussianSet	A container for Gaussian type outputs from QM codes
CGaussianSetTools	Provide tools to calculate molecular orbitals, electron densities and other derived data stored in a GaussianSet result
CGraph	Graph data structure
ChBondRecord
CInternalCoordinate
CLayer	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
CLayerData	Interface to store layer data structure
CLayerManager
CMesh	Encapsulation of a triangular mesh that makes up a surface
CMolecule	Chemical molecule
CVibrationData
CMoleculeInfo	All layer dependent data for one molecule: which layers are hidden (visible) or refuse edits (locked), per-plugin key-value data (enable), and per-plugin custom data (settings)
CMutex	Simple wrapper for the C++11 mutex class
CNameAtomTyper	Simple implementation of AtomTyper that assigns element names to each atom
CNeighborPerceiver	This class can be used to find physically neighboring points in linear average time
CPropertyMap	A typed column store for per-entity custom properties
CResidue	Chemical residue, used commonly in the PDB format
CResidueData
CRingPerceiver
CSecondaryStructureAssigner
CSharedMutex	Simple wrapper for the C++17 shared_mutex class
CShellInfo	Pre-packed shell metadata for fast evaluation. Concentrates all per-shell data from GaussianSet into a single contiguous struct, eliminating repeated indirect lookups into separate vectors during the hot evaluation loop
CSlaterSet	SlaterSet Class
CSlaterSetTools	Provide tools to calculate molecular orbitals, electron densities and other derived data stored in a GaussianSet result
CSpaceGroups	The Spacegroups class stores basic data about crystal spacegroups
CSymbolAtomTyper	Simple implementation of AtomTyper that assigns element symbols to each atom
CUnitCell	Representation of a crystal's unit cell
CVariant	Union of data values
CVariantMap	Map between string keys and variant values
NIo
CCaseInsensitiveComparator	Class to handle case-insensitive comparisons of file extensions. Adapted from https://stackoverflow.com/a/3009806/131896
ClowerCaseCompare
CCifSymmetry	The space group information that a CIF file spells out itself
CCjsonFormat	Implementation of the Chemical JSON format
CCmlFormat	Implementation of the Chemical Markup Language format
CCompressingOStream	An output stream that compresses what is written to it
CCompressingStreamBuf	A stream buffer that compresses into another stream
CDcdFormat	Implementation of the generic dcd trajectory format
CDecompressingIStream	An input stream over compressed data
CDecompressingStreamBuf	A stream buffer that decompresses another stream on demand
CFileFormat	General API for file formats
CFileFormatManager	Class to manage registration, searching and creation of file formats
CGromacsFormat	Simple GROMACS .gro file reader
CHdf5DataFormat	Access to data stored in HDF5 files
CLammpsDataFormat
CLammpsTrajectoryFormat	Implementation of the generic lammps trajectory format
CMdlFormat	Implementation of the generic MDL format
CMMTFFormat	Implementation of the MMTF format
COutcarFormat
CPdbFormat	Parser for the PDB format
CPoscarFormat	Implementation of the generic POSCAR format
CSdfFormat	Implementation of the generic SDF format
CSmilesFormat	Implementation of the SMILES line notation
CSmilesParser	Parse a SMILES string into a molecule
CSmilesWriter	Serialize a molecule to a SMILES string
CTrrFormat	Implementation of the generic trr trajectory format
CTurbomoleFormat	Implementation of the Turbomole coord format
CXyzFormat	Implementation of the generic xyz format
NMoleQueue
CBatchJob	Manages a collection of jobs that are configured using the same InputGenerator and MoleQueue options. For use with InputGeneratorDialog::configureBatchJob(BatchJob&)
CClient	Used by clients to submit jobs to a running MoleQueue server
CInputGenerator	Interface to input generator scripts
CInputGeneratorDialog	Thin wrapper around InputGeneratorWidget for standalone use
CInputGeneratorWidget	User interface for configuring, saving, editing, and running input files produced by InputGenerator scripts
CJobObject	Simple client-side representation for a MoleQueue job
CJsonRpcClient	Used by clients to submit calls to an RPC server using JSON-RPC 2.0
CMoleQueueDialog	Thin wrapper around MoleQueueWidget for standalone use
CMoleQueueManager	Access to a MoleQueue server
CMoleQueueQueueListModel	Qt item model representing the tree of available queues and programs in a running MoleQueue process
CMoleQueueWidget	Widget for configuring and submitting a MoleQueue::JobObject
NQtGui
CArray	Base class for array containers
CBackgroundFileFormat	Thin QObject wrapper around an instance of Io::FileFormat
CCalcWorker	Worker object that runs EnergyCalculator computations on a dedicated QThread
CChartDialog	Dialog window for displaying a chart via ChartWidget
CChartWidget	A Qt widget for displaying charts via JKQtPlotter
CColorButton	A button to show the current color and bring up the QColorDialog
CConformerQuantityTranslator	Internationalization of the names of per-conformer quantities
CContainerWidget	A widget that contains a single view widget, along with standard buttons for splitting, maximizing, closing
CCustomElementDialog	Dialog window for mapping custom elements into elemental types
CElementDetail
CElementItem
CElementTranslator	Internationalization of element names
CEnergyUnits	The units energies are read in and shown in, shared application-wide
CEnergyUnitsDialog	Ask which units energies are in, and which to show them in
CExtensionPlugin	The base class for extension plugin factories in Avogadro
CExtensionPluginFactory	The base class for extension plugin factories in Avogadro
CFileBrowseWidget
CFileFormatDialog
CFragmentTools	Find the part of a molecule that one end of an internal coordinate can move independently of the rest, and move it
CGaussianSetConcurrent	Uses GaussianSetTools to calculate values of electronic structure properties from quantum output read in
CGenericHighlighter	Regexp-based programmable syntax highlighter
CRule	Stores a syntax highlighting rule as a set of QRegularExpression patterns and a text format
CHydrogenTools
CInsertFragmentDialog	Dialog to prompt a format and descriptor string
CInterfaceScript	The Interface class provides an interface to external scripts
CInterfaceWidget	User interface for running external scripts
CJsonWidget	User interface for running external scripts
CLayerModel	UI for the layer dock
CMeshGenerator	Class that can generate Mesh objects from Cube objects
CgridEdge
CMolecule	A QObject derived molecule object with signals/slots
CMoleculeModel	A model containing molecules
CMoleculeSystem
CMultiViewWidget	A widget that contains other views, taking on responsibility for defining the active view, the layout of the subviews and ownership of the widgets
CPackageManager	Singleton that manages pyproject.toml-based plugin packages
CPackageInfo
CCommandLine
CPeriodicTableScene
CPeriodicTableView	This class implements the view of the periodic table showing all elements
CPersistentAtom	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
CPersistentBond	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
CPluginLayerManager	Set of common layer dependent operators useful for Layer dependent QtPlugins
CPythonScript	Implements a interface for calling short-lived python utility scripts
CRichTextDelegate
CRWAtom
CRWBond
CRWLayerManager	The RWLayerManager do and undo for layer actions
CRWMolecule	Editable molecule class that automatically populates an undo stack
CUndoCommand
CScenePlugin
CScenePluginFactory	The base class for scene plugin factories in Avogadro
CScenePluginModel	A model containing scene plugins that will build up the scene
CSlaterSetConcurrent	Uses SlaterSetTools to calculate values of electronic structure properties from quantum output read in
CSortFilterTreeProxyModel
CTimedProgressDialog	A progress dialog with a time remaining label
CToolPlugin	The base class for plugins that interact with QtOpenGL::GLWidget
CToolPluginFactory	The base class for tool plugin factories in Avogadro
CUndoMergeTracker	Collapse a run of same-field edits, each pushed as its own undo command, into a single undo step
CUnitCell	Representation of a crystal's unit cell
CViewFactory	Pure virtual that provides a method of dynamically adding views to the MultiViewWidget class
NQtOpenGL
CActiveObjects	Singleton to provide access to active objects
CGLWidget	QOpenGLGLWidget derived object for displaying 3D molecular geometry
CQtTextRenderStrategy	Uses the Qt toolkit to render text
NQuantumIO
CGAMESSUSOutput
CGaussianCube
CGaussianFchk
CGenericJson
CGenericOutput
CMoldenFile
CMopacAux
CNWChemJson	Implementation of the NWChem JSON format
CNWChemLog
CORCAOutput
CQCSchema	Implementation of the MolSSI QCSchema format and WebMO variant
NRendering
CArcSector	Convenience class for creating an arc disk (e.g., part of a circle) from a MeshGeometry
CArcStrip	Convenience class for creating an arc line (e.g., the edge of a circle)
CArrowGeometry	Used to store sets of line strips
CArrow
CBezierGeometry
CBSplineGeometry
CBufferObject	Buffer object to store geometry/attribute data on the GPU
CCamera	Utility functionality useful in camera's used with 3D scenes
CCartoon
CColorNormalVertex	Pack the vertex data into a contiguous array
CColorTextureVertex	Pack the vertex data into a contiguous array
CCurveGeometry
CCylinder
CCylinderColor
CCylinderGeometry	The CylinderGeometry contains one or more cylinders
CDashedLineGeometry	Used to store sets of dashed lines
CPackedVertex
CDrawable	The base class for all drawable geometry and types
CEigenData
CGeometryNode	Common base of all geometry nodes
CGeometryVisitor	Visitor that determines the geometry of the scene
CGLRenderer	Render the scene using OpenGL calls
CGLRenderVisitor	Visitor that takes care of rendering the scene
CGroupNode	Common API for grouping child nodes
CNodeInfo
CIdentifier
CLine
CLineStripGeometry	Used to store sets of line strips
CPackedVertex
CMeshGeometry	The MeshGeometry is used for triangle mesh geometry
CNode	Base class for all items in the scene
CPackedVertex	Packed vertex structure for efficient GPU transfer
CPLYVisitor	Visitor that visits scene elements and creates an ASCII PLY file
CPoint
CPOVRayVisitor	Visitor that visits scene elements and creates a POV-Ray input file
CPrimitive
CIdentifier
CQuad	Convenience class for creating a quadrilateral mesh
CQuadOutline	Convenience class for creating a quadrilateral outline as a LineStripGeometry
CScene	The Scene contains data ready to be rendered
CShader	Vertex or Fragment shader, combined into a ShaderProgram
CShaderInfo
CShaderProgram	The ShaderProgram uses one or more Shader objects
CSolidPipeline
CSphere
CSphereColor
CSphereGeometry	One or more spheres
CTessellatedMesh	A triangle mesh produced from one drawable of the scene
CTessellatingVisitor	Visitor that converts every drawable into triangle meshes
CTextLabel2D	Renders text in an overlay plane, anchored to a point in window coordinates
CTextLabel3D	Renders billboarded text that is anchored to a point in world coordinates
CTextLabelBase	Generic implementation of a text drawable
CTextProperties	Controls formatting options for text
CTextRenderStrategy	Defines an interface for generating text images
CTexture2D	Manages texture resources in graphics libraries
CTransformNode	Applies a transform to all child nodes
CVertexArrayObject	Vertex Array Object to capture vertex attribute state
CVisitor	Base class for all Node visitors
CVolumeGeometry	Demonstrates volume rendering with an offscreen pass and a fullscreen quad
CVRMLVisitor	Visitor that visits scene elements and creates a VRML input file
CWideLineGeometry	Renders line segments as camera-facing quads for wide line support
CPackedVertex
CFrustrum
CTypeTraits
CTypeTraits< char >
CTypeTraits< double >
CTypeTraits< float >
CTypeTraits< int >
CTypeTraits< short >
CTypeTraits< unsigned char >
CTypeTraits< unsigned int >
CTypeTraits< unsigned short >
Cparameter