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github.com/OpenChemistry/avogadrolibs
/ functions
Functions
5,508 in github.com/OpenChemistry/avogadrolibs
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Functions
5,508
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Types & classes
1,034
Method
QTAIMEngine
avogadro/qtplugins/qtaim/qtaimengine.cpp:23
Function
QTAIMEvaluateProperty
TODO: Consider QVariantList. For now, mimic what is known to work.
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1186
Function
QTAIMEvaluatePropertyRTP
TODO: Consider QVariantList. For now, mimic what is known to work. This version performs integration in Spherical Polar Coordinates. Note that the bas
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1446
Function
QTAIMEvaluatePropertyTP
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1792
Method
QTAIMExtension
avogadro/qtplugins/qtaim/qtaimextension.cpp:36
Method
QTAIMLSODAIntegrator
avogadro/qtplugins/qtaim/qtaimlsodaintegrator.cpp:45
Function
QTAIMLocateBondCriticalPoint
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:146
Function
QTAIMLocateElectronDensityHelper
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:49
Function
QTAIMLocateElectronDensitySink
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:319
Function
QTAIMLocateElectronDensitySource
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:336
Function
QTAIMLocateNuclearCriticalPoint
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:113
Method
QTAIMODEIntegrator
avogadro/qtplugins/qtaim/qtaimodeintegrator.cpp:27
Method
QTAIMWavefunction
avogadro/qtplugins/qtaim/qtaimwavefunction.cpp:27
Method
QTAIMWavefunctionEvaluator
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:23
Method
QtTextRenderStrategy
avogadro/qtopengl/qttextrenderstrategy.cpp:124
Method
QuantumInput
avogadro/qtplugins/quantuminput/quantuminput.cpp:46
Method
RWMolecule
avogadro/qtgui/rwmolecule.cpp:30
Method
RemapAtomicNumbers
avogadro/qtgui/customelementdialog.cpp:49
Method
RemoveAtomCommand
avogadro/qtgui/rwmolecule_undo.h:123
Method
RemoveBondCommand
avogadro/qtgui/rwmolecule_undo.h:446
Method
RemoveLayerCommand
avogadro/qtgui/rwlayermanager.cpp:131
Method
RemoveUnitCellCommand
avogadro/qtgui/rwmolecule_undo.h:587
Method
RenderImpl
avogadro/qtplugins/overlayaxes/overlayaxes.cpp:82
Method
RenderImpl
avogadro/rendering/textlabelbase.cpp:81
Method
Request
avogadro/molequeue/batchjob.h:238
Method
ResetView
avogadro/qtplugins/resetview/resetview.cpp:38
Method
Residue
avogadro/core/residue.cpp:13
Method
ResidueData
avogadro/core/residuedata.h:21
Method
ResizeArray
avogadro/io/hdf5dataformat.cpp:107
Method
ResizeMatrixX
avogadro/io/hdf5dataformat.cpp:77
Method
ResizeVector
avogadro/io/hdf5dataformat.cpp:93
Method
RichTextDelegate
avogadro/qtgui/richtextdelegate.cpp:16
Method
RingCandidate
--- Construction and Destruction ---------------------------------------- //
avogadro/core/ringperceiver.cpp:197
Method
RingPerceiver
avogadro/core/ringperceiver.cpp:483
Method
SVG
avogadro/qtplugins/svg/svg.cpp:28
Method
SVGAtom
avogadro/qtplugins/svg/svg.h:53
Method
Scene
avogadro/rendering/scene.cpp:14
Method
ScenePlugin
avogadro/qtgui/sceneplugin.cpp:10
Method
ScenePluginModel
avogadro/qtgui/scenepluginmodel.cpp:12
Method
SchemaWidget
avogadro/qtplugins/forcefield/forcefielddialog.cpp:39
Method
ScriptChargeModel
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:95
Method
ScriptCharges
avogadro/qtplugins/scriptcharges/scriptcharges.cpp:20
Method
ScriptEnergy
avogadro/qtplugins/forcefield/scriptenergy.cpp:94
Method
ScriptFileFormats
avogadro/qtplugins/scriptfileformats/scriptfileformats.cpp:18
Method
SdfFormat
avogadro/io/sdfformat.cpp:10
Method
SecondaryStructureAssigner
avogadro/core/secondarystructure.cpp:16
Method
Select
avogadro/qtplugins/select/select.cpp:27
Method
SelectionTool
avogadro/qtplugins/selectiontool/selectiontool.cpp:44
Method
SelectionToolWidget
avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp:13
Method
SetAtomColorCommand
avogadro/qtgui/rwmolecule_undo.h:358
Method
SetAtomFormalChargeCommand
avogadro/qtgui/rwmolecule_undo.h:337
Method
SetAtomHybridizationCommand
avogadro/qtgui/rwmolecule_undo.h:309
Method
SetAtomicNumberCommand
avogadro/qtgui/rwmolecule_undo.h:181
Method
SetAtomicNumbersCommand
avogadro/qtgui/rwmolecule_undo.h:159
Method
SetBondOrderCommand
avogadro/qtgui/rwmolecule_undo.h:494
Method
SetBondOrdersCommand
avogadro/qtgui/rwmolecule_undo.h:473
Method
SetBondPairCommand
avogadro/qtgui/rwmolecule_undo.h:547
Method
SetBondPairsCommand
avogadro/qtgui/rwmolecule_undo.h:526
Method
SetForceVectorCommand
avogadro/qtgui/rwmolecule_undo.h:628
Method
SetFractionalCoordinatesFunctor
avogadro/core/crystaltools.cpp:720
Method
SetLayerCommand
avogadro/qtgui/rwmolecule_undo.h:396
Method
SetPNG
* @brief Loads PNG data after sending a request */
avogadro/qtplugins/importpqr/pqrrequest.cpp:167
Method
SetPosition3dCommand
avogadro/qtgui/rwmolecule_undo.h:241
Method
SetPositions3dCommand
avogadro/qtgui/rwmolecule_undo.h:208
Method
SetResidueColorCommand
avogadro/qtgui/rwmolecule_undo.h:377
Method
SetUp
tests/qtgui/packagemanagertest.cpp:44
Method
SetUp
tests/calc/energymanagertest.cpp:71
Method
SetUp
tests/calc/energycalculatortest.cpp:169
Method
SetUp
tests/calc/chargemanagertest.cpp:24
Method
Shader
avogadro/rendering/shader.cpp:12
Method
ShaderProgram
avogadro/rendering/shaderprogram.cpp:86
Method
SharedMutex
avogadro/core/sharedmutex.cpp:22
Method
SlaterSetConcurrent
avogadro/qtgui/slatersetconcurrent.cpp:31
Method
SlaterSetTools
avogadro/core/slatersettools.cpp:13
Method
SolidPipeline
* @brief Probably don't want to support copy/assignment. */
avogadro/rendering/solidpipeline.h:23
Method
SolidPipeline
avogadro/rendering/solidpipeline.cpp:87
Method
SpaceGroup
avogadro/qtplugins/spacegroup/spacegroup.cpp:48
Method
Spectra
avogadro/qtplugins/spectra/spectra.cpp:24
Method
SpectraDialog
avogadro/qtplugins/spectra/spectradialog.cpp:159
Method
Sphere
avogadro/rendering/primitive.h:95
Method
SphereAmbientOcclusionRenderer
avogadro/rendering/ambientocclusionspheregeometry.cpp:867
Method
SphereColor
avogadro/rendering/spheregeometry.h:19
Method
SphereGeometry
avogadro/rendering/spheregeometry.cpp:52
Method
Sssr
construction and destruction
avogadro/core/ringperceiver.cpp:229
Method
SupercellDialog
avogadro/qtplugins/crystal/supercelldialog.cpp:17
Method
SurfaceDialog
avogadro/qtplugins/surfaces/surfacedialog.cpp:12
Method
SurfaceRender
avogadro/qtplugins/surfacerender/surfacerender.cpp:37
Method
Surfaces
avogadro/qtplugins/surfaces/surfaces.cpp:85
Method
SymbolAtomTyper
avogadro/core/symbolatomtyper.cpp:12
Method
Symmetry
avogadro/qtplugins/symmetry/symmetry.cpp:32
Method
SymmetryScene
avogadro/qtplugins/symmetry/symmetryscene.cpp:38
Method
SymmetryWidget
avogadro/qtplugins/symmetry/symmetrywidget.cpp:65
Function
TEST
tests/core/variantmaptest.cpp:12
Function
TEST
tests/core/dihedraliteratortest.cpp:34
Function
TEST
tests/core/atomtest.cpp:15
Function
TEST
tests/core/elementtest.cpp:15
Function
TEST
tests/core/secondarystructuretest.cpp:21
Function
TEST
tests/core/residuetest.cpp:18
Function
TEST
tests/core/coordinateblockgeneratortest.cpp:261
Function
TEST
tests/core/arraytest.cpp:12
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