▼NAvogadro | The PQRRequest class sends and receives network requests to PQR and updates ui elements from the widget |
►NCore | |
►Ninternal | |
CArrayRefContainer | |
CArray | Base class for array containers |
►CArraySet | Base class for array type containers |
CHolder | |
CPlaceHolder | |
CAtom | |
CAtomTemplate | |
CAtomTyper | The AtomTyper class provides a base interface for generating a list of type identifiers describing the atoms in a molecule |
CAvoSpglib | Interface between Avogadro and Spglib |
CBasisSet | BasisSet contains basis set data |
CBond | |
CBondTemplate | |
CColor3f | Representation of an RGB color using three floats |
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 |
CCube | Provide a data structure for regularly spaced 3D grids |
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 |
CMesh | Encapsulation of a triangular mesh that makes up a surface |
CMolecule | Chemical molecule |
CMoleculeDeserializer | Implementation of ProtoCall::Serialization::Deserializer |
CMoleculeSerializer | Implementation of ProtoCall::Serialization::Serializer |
CMutex | Simple wrapper for the C++11 or Boost mutex class |
CNameAtomTyper | Simple implementation of AtomTyper that assigns element names to each atom |
CResidue | Chemical residue, used commonly in the PDB format |
CResidueData | |
CRingPerceiver | |
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 | |
CCjsonFormat | Implementation of the Chemical JSON format |
CCmlFormat | Implementation of the Chemical Markup Language format |
CDcdFormat | Implementation of the generic dcd trajectory format |
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 |
CTrrFormat | Implementation of the generic trr trajectory 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&) |
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 |
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 | |
CBackgroundFileFormat | Thin QObject wrapper around an instance of Io::FileFormat |
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 |
CExtensionPlugin | The base class for extension plugin factories in Avogadro |
CExtensionPluginFactory | The base class for extension plugin factories in Avogadro |
CFileBrowseWidget | |
CFileFormatDialog | |
►CGenericHighlighter | Regexp-based programmable syntax highlighter |
CRule | Stores a syntax highlighting rule as a set of QRegExp patterns and a text format |
CHydrogenTools | |
CInterfaceScript | The Interface class provides an interface to external scripts |
CInterfaceWidget | User interface for running external scripts |
CMeshGenerator | Class that can generate Mesh objects from Cube objects |
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 |
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 |
CPythonScript | Implements a interface for calling short-lived python utility scripts |
CRWAtom | |
CRWBond | |
CRWMolecule | Editable molecule class that automatically populates an undo stack |
CScenePlugin | |
CScenePluginFactory | The base class for scene plugin factories in Avogadro |
CScenePluginModel | A model containing scene plugins that will build up the scene |
CScriptLoader | Finds and verifies different types of python utility scripts |
CToolPlugin | The base class for plugins that interact with QtOpenGL::GLWidget |
CToolPluginFactory | The base class for tool plugin factories in Avogadro |
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 |
►NQtPlugins | |
CApbs | Integration with the APBS package, primarily reading the OpenDX output files produced by it at this point |
CApbsDialog | Dialog for running APBS |
CApbsOutputDialog | Dialog indicating a successful run of APBS |
CBallAndStick | Render a molecule in the ball and stick style |
CBondCentricTool | BondCentricTool manipulates molecular geometry by adjusting bond angles/lengths |
CBonding | Performs bonding operations on demand |
CCalculationSubmitter | |
CCalculationWatcher | |
CClientServer | Plugin used to connect to and perform remote operations on an Avodadro server |
CColorOpacityMap | An interactive color opacity map editor with a value population histogram |
CComDialog | |
CCommand | Implements the extension interface for external (script) Commands |
CConfigDialog | |
CConnectionSettingsDialog | Dialog to set the connection settings for connecting to a remote server |
CCoordinateEditor | CoordinateEditor implements the plugin interface for the coordinate editor extension |
CCoordinateEditorDialog | Implements a free-text coordinate editor |
CCoordinateTextEdit | Extends QTextEdit to provide context tooltips and highlighting for syntax errors |
CCopyPaste | Allows interaction with the system clipboard |
CCrystal | Tools for crystal-specific editing/analysis |
CCrystalScene | Render the unit cell boundaries |
CCustomElements | Manipulate custom element types in the current molecule |
CDownloaderWidget | |
CEditor | The Editor tool extends and modifies molecules |
CEditorToolWidget | |
CFileFormatScript | Interfaces with external scripts that implement chemical file reader/writers |
CForce | Render a molecule in the wireframe style |
CGamessHighlighter | |
CGamessInput | |
CGamessInputDialog | |
CGaussianSetConcurrent | Uses GaussianSetTools to calculate values of electronic structure properties from quantum output read in |
CGirderRequest | |
CHydrogens | Extension to modify hydrogens |
CImportCrystalDialog | Dialog for importing a crystal from the clipboard |
CImportPQR | |
CLammpsInput | |
CLammpsInputDialog | |
CLicorice | Render a molecule in the licorice style |
CLineFormatInput | Load single-line molecule descriptors through an input dialog |
CLineFormatInputDialog | Dialog to prompt a format and descriptor string |
CListMoleculesModel | |
CManipulator | Manipulates a molecule's geometry |
CMeasureTool | MeasureTool displays distances and angles between selected atoms |
CMeshes | Render one or more triangular meshes |
CMolecularProperties | Extension to launch a MolecularPropertiesDialog |
CMolecularPropertiesDialog | Dialog which displays basic molecular properties |
CMongoChem | |
CMongoChemWidget | |
CNavigator | The Navigator tool updates the camera in response to user input |
CNetworkDatabases | Queries online databases (currently the NIH structure resolver) and loads the returned structure if one is found |
COBFileFormat | Implements the FileFormat API for using an OBProcess for file IO |
COBForceFieldDialog | Used to prompt the user for parameters to be used in an OpenBabel force field optimization |
COBProcess | Interface to the obabel executable, which is run in a separate process |
COpenBabel | Implements the ExtensionPlugin interface to expose some OpenBabel functionality |
COpenDxReader | Provide a reader for OpenDX files |
COperationsTableModel | |
COverlayAxes | Render reference axes in the corner of the display |
CPdfOptionsDialog | Dialog to set options for PDF curve plotting |
CPlayerTool | PlayerTool enables playback of trajectories |
CPlotPdf | Generate and plot a PDF curve |
CPlotRmsd | Generate and plot an RMSD curve |
CPlotXrd | Generate and plot a theoretical XRD pattern using ObjCryst++ |
CPluginDownloader | Downloads Github repos and extracts their contents into a Avogadro folder for plugins, molecule data, etc. |
CPluginFactory | The base class for plugin factories in Avogadro |
CPluginManager | This class takes care of finding and loading Avogadro plugins |
CPOVRay | Performs POVRay operations on demand |
CPQRRequest | |
CPQRWidget | |
CQTAIMCriticalPointLocator | |
CQTAIMCubature | |
CQTAIMEngine | |
CQTAIMExtension | |
CQTAIMLSODAIntegrator | |
CQTAIMODEIntegrator | |
CQTAIMWavefunction | |
CQTAIMWavefunctionEvaluator | |
CQuantumInput | Implements the extension interface for simulation input generators |
CRichTextDelegate | |
CScriptFileFormats | This extension registers FileFormat reader/writers that are implemented as external scripts |
CSelect | Extension to modify selections |
CSelectionTool | SelectionTool selects atoms and bonds from the screen |
CSelectionToolWidget | |
CSlaterSetConcurrent | Uses SlaterSetTools to calculate values of electronic structure properties from quantum output read in |
CSpaceGroup | Space group features for crystals |
CSpectra | The Spectra plugin handles vibrations and spectra |
CSubmitCalculationDialog | |
CSupercellDialog | Dialog for building a supercell from a crystal |
CSurfaceDialog | The SurfaceDialog presents various properties that have been read in from a quantum output file and provides interface to initiate calculations |
CSurfaces | |
CSymmetry | Symmetry functionality |
CSymmetryScene | Render the symmetry elements |
CSymmetryWidget | Widget for handling symmetry unit cell |
CThreeDMol | Extension to launch a ThreeDMolDialog |
CThreeDMolDialog | Dialog which displays basic molecular properties |
CUnitCellDialog | Dialog for editing a molecule's unit cell |
CVanDerWaals | Render the molecule as Van der Waals spheres |
CVanDerWaalsAO | Render the molecule as Van der Waals spheres with ambient occlusion |
CVibrationDialog | The VibrationDialog presents vibrational modes |
CVibrationModel | |
CVolumeScalingDialog | Dialog with options for adjusting the volume of a Molecule's UnitCell |
CVRML | Performs VRML operations |
CWireframe | Render a molecule in the wireframe style |
CXrdOptionsDialog | Dialog to set options for a theoretical XRD pattern calculation |
CZipExtracter | |
►NQuantumIO | |
CGamessukOut | |
CGAMESSUSOutput | |
CGaussianCube | |
CGaussianFchk | |
CGUKBasisSet | |
CMoldenFile | |
CMopacAux | |
CNWChemJson | Implementation of the NWChem JSON format |
CNWChemLog | |
►NRendering | |
CAmbientOcclusionSphereGeometry | One or more spheres |
CArrowGeometry | Used to store sets of line strips |
CBufferObject | Buffer object to store geometry/attribute data on the GPU |
CCamera | Utility functionality useful in camera's used with 3D scenes |
CColorNormalVertex | Pack the vertex data into a contiguous array |
CColorTextureVertex | Pack the vertex data into a contiguous array |
CCylinder | |
CCylinderColor | |
CCylinderGeometry | The CylinderGeometry contains one or more cylinders |
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 |
CIdentifier | |
►CLineStripGeometry | Used to store sets of line strips |
CPackedVertex | |
►CMeshGeometry | The MeshGeometry is used for triangle mesh geometry |
CPackedVertex | |
CNode | Base class for all items in the scene |
CPOVRayVisitor | Visitor that visits scene elements and creates a POV-Ray input file |
►CPrimitive | |
CIdentifier | |
CScene | The Scene contains data ready to be rendered |
CShader | Vertex or Fragment shader, combined into a ShaderProgram |
CShaderProgram | The ShaderProgram uses one or more Shader objects |
CSphere | |
CSphereColor | |
CSphereGeometry | One or more spheres |
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 |
CVisitor | Base class for all Node visitors |
CVolumeGeometry | Regularly spaced volumetric data set |
CVRMLVisitor | Visitor that visits scene elements and creates a VRML input file |
►NVTK | |
CvtkGLWidget | |
CVtkPlot | Generate a plot using VTK |
CFrustrum | |
CHistogramWidget | |
CQVTKGLWidget | |
CTypeTraits | |
CTypeTraits< char > | |
CTypeTraits< double > | |
CTypeTraits< float > | |
CTypeTraits< int > | |
CTypeTraits< short > | |
CTypeTraits< unsigned char > | |
CTypeTraits< unsigned int > | |
CTypeTraits< unsigned short > | |
CAvogadroServer | Simple server implementation based on vtkServerSocket, accepting connections and processing ProtoCall requests |
CAvoRemoteFileSystemService | Server side implementation of RemoteFileSystemService. Provides methods for browsing a remote filesystem |
CAvoRemoteMoleculeService | The server side implementation of the RemoteMoleculeService, provides functionality to open a molecule on a remote system |
CFileDialog | Remote file dialog |
CFileDialogFilter | Filter used to filter data in file dialog model |
CFileDialogModel | Remote file dialog model |
CFileDialogModelIconProvider | |
CvtkAvogadroActor | Wrap an Avogadro::Rendering::Scene in a vtkActor derived container so that it can be rendered in a standard VTK widget |
CvtkChartHistogram | |
CvtkChartHistogramColorOpacityEditor | |
CvtkCustomPiecewiseControlPointsItem | |