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Functions5,508 in github.com/OpenChemistry/avogadrolibs

↓ 2 callersFunctionfileExists
tests/io/hdf5test.cpp:18
↓ 2 callersMethodfileExtensions
avogadro/io/fileformatmanager.cpp:241
↓ 2 callersMethodfileFormats
avogadro/qtgui/extensionplugin.cpp:16
↓ 2 callersMethodfileNames
avogadro/molequeue/inputgenerator.cpp:328
↓ 2 callersFunctionfindInstalledScript
Locate an installed console script inside a pixi or venv environment.
avogadro/qtgui/packagemanager.cpp:112
↓ 2 callersMethodfiniteGradient
avogadro/calc/energycalculator.cpp:52
↓ 2 callersFunctionflushEvents
tests/qtgui/inputgeneratorwidgettest.cpp:32
↓ 2 callersFunctionforeach
avogadro/qtplugins/copypaste/copypaste.cpp:262
↓ 2 callersMethodfuzzParseHighlightStyles
tests/qtgui/fuzz-interfacescript-json.cpp:53
↓ 2 callersMethodgenerateCoordinateBlock
avogadro/qtgui/interfacescript.cpp:638
↓ 2 callersMethodgenerateInput
avogadro/molequeue/inputgenerator.cpp:162
↓ 2 callersFunctiongetBB
avogadro/qtplugins/resetview/resetview.cpp:127
↓ 2 callersMethodgetData
avogadro/core/cube.cpp:292
↓ 2 callersFunctiongetMetaData
()
avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py:9
↓ 2 callersFunctiongetZDistance
avogadro/qtplugins/resetview/resetview.cpp:115
↓ 2 callersMethodgradientAndHessianOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:399
↓ 2 callersMethodgradientAndHessianOfElectronDensityLaplacian
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:1369
↓ 2 callersFunctionhandlePartialCharges
Helper function to handle partial charge property blocks e.g. PUBCHEM_MMFF94_PARTIAL_CHARGES
avogadro/io/mdlformat.cpp:47
↓ 2 callersMethodheaderData
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:151
↓ 2 callersFunctionheap_free
note that heap_free does not deallocate anything referenced by the items */
avogadro/qtplugins/qtaim/qtaimcubature.cpp:879
↓ 2 callersFunctionheap_pop
avogadro/qtplugins/qtaim/qtaimcubature.cpp:923
↓ 2 callersFunctionheap_push
avogadro/qtplugins/qtaim/qtaimcubature.cpp:887
↓ 2 callersFunctionheap_push_many
avogadro/qtplugins/qtaim/qtaimcubature.cpp:914
↓ 2 callersFunctionheight
* Get the height of the viewport in pixels. */
avogadro/rendering/camera.h:162
↓ 2 callersMethodhits
avogadro/rendering/drawable.cpp:34
↓ 2 callersMethodidentifier
tests/calc/energymanagertest.cpp:37
↓ 2 callersMethodindex
avogadro/core/bond.h:190
↓ 2 callersFunctioninitializePositionFramebuffer
Floating-point framebuffer for storing world positions
avogadro/rendering/volumegeometry.cpp:161
↓ 2 callersMethodinstance
avogadro/qtplugins/pluginmanager.cpp:73
↓ 2 callersFunctionintegrate
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1091
↓ 2 callersMethodisConnected
avogadro/molequeue/client/client.cpp:19
↓ 2 callersFunctionisDouble
Checks whether the data stored in the binary file is of float or double type */
avogadro/io/trrformat.cpp:56
↓ 2 callersMethodisEnabled
avogadro/qtplugins/symmetry/symmetryscene.cpp:136
↓ 2 callersFunctionisMode
* @brief Check if the supplied mode(s) is being used. * @param isInMode The mode(s) to test against * @return True if the format is currently in
avogadro/io/fileformat.h:97
↓ 2 callersMethodisOpen
avogadro/io/hdf5dataformat.cpp:130
↓ 2 callersMethodisType
avogadro/core/coordinateset.h:32
↓ 2 callersMethodisUnique
avogadro/core/ringperceiver.cpp:279
↓ 2 callersFunctionisValid
* @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */
avogadro/core/slaterset.h:125
↓ 2 callersMethodisValid
avogadro/core/ringperceiver.cpp:268
↓ 2 callersMethodisosurfaceValue
avogadro/qtplugins/surfaces/surfacedialog.cpp:282
↓ 2 callersMethodisovalue
avogadro/qtplugins/surfaces/orbitalwidget.h:43
↓ 2 callersFunctionisqr
avogadro/qtplugins/qtaim/qtaimcubature.cpp:518
↓ 2 callersFunctionlibraryDirectory
avogadro/qtgui/utilities.cpp:15
↓ 2 callersMethodlookAt
avogadro/rendering/camera.cpp:72
↓ 2 callersMethodlookupProgram
avogadro/molequeue/molequeuequeuelistmodel.cpp:96
↓ 2 callersMethodmainFileName
avogadro/molequeue/inputgenerator.cpp:333
↓ 2 callersFunctionmakeRandomVariant
Build a random Variant from fuzz data
tests/core/fuzz-variantmap.cpp:25
↓ 2 callersFunctionmake_rule
avogadro/qtplugins/qtaim/qtaimcubature.cpp:325
↓ 2 callersMethodmarkDirty
avogadro/rendering/textlabelbase.cpp:371
↓ 2 callersMethodmimeTypes
avogadro/io/fileformatmanager.cpp:235
↓ 2 callersMethodmolecule
* @return The molecule the atom is a part of. */
avogadro/qtgui/persistentatom.h:69
↓ 2 callersMethodmonoisotopicMass
avogadro/core/molecule.cpp:1030
↓ 2 callersFunctionname
avogadro/core/cube.h:232
↓ 2 callersMethodname
avogadro/qtplugins/surfaces/orbitals.h:49
↓ 2 callersMethodname
avogadro/qtplugins/copypaste/copypaste.h:31
↓ 2 callersMethodnewInstance
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:147
↓ 2 callersMethodnewInstance
avogadro/qtplugins/scriptfileformats/fileformatscript.cpp:111
↓ 2 callersMethodopenOutput
avogadro/molequeue/molequeuewidget.cpp:117
↓ 2 callersMethodoptions
avogadro/qtplugins/forcefield/forcefielddialog.cpp:94
↓ 2 callersMethodoptions
avogadro/qtplugins/openbabel/obforcefielddialog.cpp:68
↓ 2 callersMethodorbitalIndex
avogadro/qtplugins/surfaces/orbitaltablemodel.cpp:174
↓ 2 callersMethodpackageInfo
avogadro/qtgui/packagemanager.cpp:670
↓ 2 callersMethodparent
avogadro/molequeue/molequeuequeuelistmodel.cpp:191
↓ 2 callersFunctionparseJsonNumericArray
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:49
↓ 2 callersFunctionparseTomlToJson
avogadro/qtgui/tomlparse.cpp:106
↓ 2 callersFunctionparseUnsigned
utilities/benchmarks/uffbenchmark.cpp:76
↓ 2 callersFunctionpartialChargeType
avogadro/qtplugins/propertytables/propertymodel.cpp:153
↓ 2 callersMethodprecalcLimit
avogadro/qtplugins/surfaces/orbitalwidget.h:46
↓ 2 callersMethodprecalcRange
avogadro/qtplugins/surfaces/orbitalwidget.h:47
↓ 2 callersMethodqueues
avogadro/molequeue/molequeuequeuelistmodel.cpp:68
↓ 2 callersMethodradius
avogadro/rendering/scene.cpp:38
↓ 2 callersFunctionrainbowGradient
TODO - read colormap gradients (e.g., turbo)
avogadro/qtplugins/applycolors/applycolors.cpp:177
↓ 2 callersMethodreadFile
avogadro/io/fileformat.cpp:121
↓ 2 callersFunctionreadRandomType
Read the variant as a random output type
tests/core/fuzz-variant.cpp:86
↓ 2 callersFunctionread_exact
Read exactly nbytes from stream. Returns None only for clean EOF before any bytes are read. Raises BinaryProtocolError on truncated read
python/avogadro/energy.py:80
↓ 2 callersMethodreadmeUrl
avogadro/qtplugins/packageinstaller/packagemodel.cpp:377
↓ 2 callersMethodrecommendedModel
avogadro/calc/chargemanager.cpp:131
↓ 2 callersMethodref
avogadro/core/array.h:71
↓ 2 callersFunctionrelError
avogadro/qtplugins/qtaim/qtaimcubature.cpp:167
↓ 2 callersMethodreloadOptions
avogadro/qtgui/interfacewidget.cpp:49
↓ 2 callersFunctionremoveFromMap
avogadro/io/fileformatmanager.cpp:166
↓ 2 callersMethodremoveLayer
avogadro/qtgui/rwlayermanager.cpp:192
↓ 2 callersMethodrender
avogadro/qtplugins/ply/ply.cpp:62
↓ 2 callersFunctionrenderCartoon
avogadro/qtplugins/cartoons/cartoons.cpp:346
↓ 2 callersFunctionrenderTube
avogadro/qtplugins/cartoons/cartoons.cpp:308
↓ 2 callersMethodreset
avogadro/qtgui/persistentbond.h:110
↓ 2 callersMethodresetTexture
avogadro/rendering/textlabelbase.cpp:346
↓ 2 callersMethodresidueLabel
avogadro/core/molecule.cpp:1509
↓ 2 callersFunctionresidueNameToOffset
avogadro/qtplugins/applycolors/applycolors.cpp:495
↓ 2 callersMethodresize
avogadro/rendering/glrenderer.cpp:73
↓ 2 callersMethodresult
Default constructor
avogadro/qtplugins/importpqr/pqrrequest.h:107
↓ 2 callersMethodrun
avogadro/qtplugins/commandscripts/command.cpp:257
↓ 2 callersFunctionrunSetupScript
Run a package's *-setup script (e.g. to download ML model weights).
avogadro/qtgui/packagemanager.cpp:351
↓ 2 callersMethodscale
avogadro/rendering/camera.cpp:64
↓ 2 callersMethodselectRow
avogadro/qtplugins/vibrations/vibrationdialog.cpp:83
↓ 2 callersMethodsendRequest
* @brief Sends a network request to search for molecules from PQR; * @param url The url to query */
avogadro/qtplugins/importpqr/pqrrequest.cpp:41
↓ 2 callersFunctionset
Set the constraint * @param a Atom index of the first atom of the constraint * @param b Atom index of the second atom of the constraint * @pa
avogadro/core/constraint.h:65
↓ 2 callersMethodsetAVector
avogadro/core/unitcell.h:203
↓ 2 callersMethodsetActive
avogadro/qtgui/containerwidget.cpp:58
↓ 2 callersMethodsetActiveLayer
avogadro/qtgui/rwlayermanager.cpp:220
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