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Functions5,508 in github.com/OpenChemistry/avogadrolibs

↓ 10 callersFunctiontokenize
Break a string (supplied as the second argument) into tokens, returned in the first argument. Tokens are determined by the delimiters supplied
avogadro/quantumio/gamessukout.cpp:31
↓ 10 callersMethodtype
avogadro/rendering/bufferobject.cpp:47
↓ 10 callersMethodvibrationRamanIntensities
avogadro/core/molecule.cpp:1123
↓ 10 callersMethodwriteDataset
avogadro/io/hdf5dataformat.cpp:381
↓ 9 callersFunctionaddChargedAtom
avogadro/qtplugins/closecontacts/closecontacts.cpp:93
↓ 9 callersMethodaddMesh
avogadro/core/molecule.cpp:870
↓ 9 callersMethodaddResidue
avogadro/core/molecule.cpp:1489
↓ 9 callersMethodbondOrder
avogadro/core/molecule.cpp:1556
↓ 9 callersMethodexceedsThreshold
avogadro/io/hdf5dataformat.cpp:213
↓ 9 callersMethodgetNeighborsInclusiveInPlace
avogadro/core/neighborperceiver.cpp:71
↓ 9 callersMethodhandle
avogadro/rendering/texture2d.cpp:155
↓ 9 callersFunctionhighlightColor
avogadro/molequeue/inputgenerator.cpp:616
↓ 9 callersFunctionisNumericArray
avogadro/quantumio/qcschema.cpp:28
↓ 9 callersMethodnewFormatFromFileExtension
avogadro/io/fileformatmanager.cpp:221
↓ 9 callersMethodnewInstance
avogadro/qtplugins/forcefield/obenergy.cpp:151
↓ 9 callersMethodproject
avogadro/rendering/camera.cpp:100
↓ 9 callersMethodremoveAtom
avogadro/qtplugins/selectiontool/selectiontool.cpp:312
↓ 9 callersMethodsetEnabled
avogadro/qtgui/sceneplugin.cpp:33
↓ 9 callersMethodsetEquivalenceSets
avogadro/qtplugins/symmetry/symmetrywidget.cpp:327
↓ 9 callersMethodsetFormat
avogadro/qtgui/generichighlighter.cpp:112
↓ 9 callersMethodsetPartialCharges
avogadro/core/molecule.cpp:314
↓ 9 callersMethodsetSymmetryOperations
avogadro/qtplugins/symmetry/symmetrywidget.cpp:311
↓ 9 callersMethodsetVibrationFrequencies
avogadro/core/molecule.cpp:1108
↓ 9 callersMethodsetVibrationIRIntensities
avogadro/core/molecule.cpp:1118
↓ 9 callersMethodsetVibrationLx
avogadro/core/molecule.cpp:1140
↓ 9 callersMethodsetViewport
avogadro/rendering/camera.cpp:170
↓ 9 callersMethodtotalCharge
avogadro/core/molecule.cpp:509
↓ 9 callersMethodtotalSpinMultiplicity
avogadro/core/molecule.cpp:524
↓ 9 callersMethodwrite
avogadro/io/trrformat.cpp:415
↓ 9 callersFunctionwriteToml
Helper: write a pyproject.toml with custom [tool.avogadro] content, keeping the required [project] and [project.scripts] boilerplate.
tests/qtgui/packagemanagertest.cpp:427
↓ 8 callersFunctionConstraint
* Constructor, results in a zero distance constraint * @param a Atom index of the first atom of the constraint * @param b Atom index of the seco
avogadro/core/constraint.h:50
↓ 8 callersMethodactiveLayer
avogadro/core/layer.cpp:88
↓ 8 callersMethodaddVertex
avogadro/core/graph.cpp:66
↓ 8 callersMethodadjustHydrogens
avogadro/qtplugins/editor/editortoolwidget.cpp:82
↓ 8 callersMethodappendMolecule
avogadro/qtgui/rwmolecule.cpp:465
↓ 8 callersFunctioncartesianToInternal
avogadro/core/internalcoordinates.cpp:201
↓ 8 callersMethodclear
avogadro/qtplugins/openbabel/obfileformat.cpp:298
↓ 8 callersFunctioncomputeAngle
avogadro/qtplugins/noncovalent/noncovalent.cpp:196
↓ 8 callersFunctioncountAngles
tests/core/angleiteratortest.cpp:18
↓ 8 callersFunctioncreateCrystal
use alpha, beta, gamma in degrees
tests/core/unitcelltest.cpp:18
↓ 8 callersFunctionfileName
avogadro/qtgui/backgroundfileformat.h:54
↓ 8 callersMethodformalCharge
avogadro/core/atom.h:347
↓ 8 callersFunctionfuzzyLessThan
avogadro/core/crystaltools.cpp:146
↓ 8 callersMethodhallNumber
avogadro/core/spacegroups.cpp:23
↓ 8 callersMethodidentifier
avogadro/qtplugins/scriptcharges/scriptchargemodel.h:68
↓ 8 callersMethoditems
avogadro/qtgui/layermodel.cpp:268
↓ 8 callersMethodlayerCount
avogadro/qtgui/layermodel.cpp:286
↓ 8 callersMethodligandString
avogadro/qtplugins/templatetool/templatetoolwidget.cpp:263
↓ 8 callersMethodlock
avogadro/core/mutex.cpp:29
↓ 8 callersFunctionname
avogadro/quantumio/orca.h:33
↓ 8 callersFunctionoutOfPlaneGradient
avogadro/calc/gradients.h:157
↓ 8 callersMethodposition2d
avogadro/core/atom.h:307
↓ 8 callersMethodradius
avogadro/core/molecule.cpp:1064
↓ 8 callersMethodsave
avogadro/qtplugins/label/labeleditor.cpp:77
↓ 8 callersMethodsendRequest
avogadro/molequeue/client/jsonrpcclient.cpp:83
↓ 8 callersMethodsetElement
avogadro/qtgui/elementdetail_p.cpp:120
↓ 8 callersMethodsetFormalCharge
avogadro/core/atom.h:341
↓ 8 callersMethodsetMolecule
avogadro/qtgui/jsonwidget.cpp:44
↓ 8 callersMethodsetMolecule
tests/calc/energymanagertest.cpp:52
↓ 8 callersMethodsetParent
avogadro/rendering/node.cpp:14
↓ 8 callersMethodsetSpectra
avogadro/qtplugins/spectra/spectradialog.cpp:580
↓ 8 callersMethodvibrationIRIntensities
avogadro/core/molecule.cpp:1113
↓ 8 callersFunctionwaitForSignal
Helper: spin the Qt event loop until a QSignalSpy has at least one signal or a timeout is reached. Returns true if signal was received.
tests/qtgui/calcworkertest.cpp:54
↓ 8 callersMethodwriteFile
python/io.cpp:37
↓ 7 callersMethod_mark_sent
(self)
python/avogadro/energy.py:548
↓ 7 callersMethodaccept
avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp:52
↓ 7 callersMethodaccept
avogadro/rendering/drawable.cpp:27
↓ 7 callersMethodaddLine
avogadro/rendering/widelinegeometry.cpp:194
↓ 7 callersMethodaddPattern
avogadro/qtgui/generichighlighter.cpp:107
↓ 7 callersMethodanchor
avogadro/rendering/textlabel2d.cpp:30
↓ 7 callersMethodbondUniqueId
avogadro/qtgui/rwmolecule.h:884
↓ 7 callersFunctionbuildMolecule
* Build a "mindless molecule" from fuzz data. * * Consumes from FuzzedDataProvider: * 1 byte: numAtoms (clamped to kMaxAtoms) * numAtoms byte
tests/core/fuzzhelpers.h:37
↓ 7 callersMethodcapacity
avogadro/core/array.h:168
↓ 7 callersMethodcenterOfMass
avogadro/core/molecule.cpp:1047
↓ 7 callersMethodclear
avogadro/core/graph.cpp:56
↓ 7 callersMethodcloseFile
avogadro/io/hdf5dataformat.cpp:188
↓ 7 callersFunctioncomputeFractionalMatrix
avogadro/core/unitcell.h:148
↓ 7 callersMethodconvert
avogadro/qtplugins/openbabel/obprocess.cpp:199
↓ 7 callersFunctioncountDihedrals
tests/core/dihedraliteratortest.cpp:18
↓ 7 callersMethodemptyRequest
avogadro/molequeue/client/jsonrpcclient.cpp:75
↓ 7 callersFunctionfindExecutablePath
avogadro/qtgui/utilities.cpp:25
↓ 7 callersFunctionfindFeatureMetadata
Find the first signal with the given identifier and return its metadata.
tests/qtgui/packagemanagertest.cpp:454
↓ 7 callersMethodformulaComposition
avogadro/core/molecule.cpp:1699
↓ 7 callersMethodhasValue
avogadro/core/variantmap.cpp:43
↓ 7 callersMethodlayer
avogadro/qtgui/rwmolecule.h:849
↓ 7 callersFunctionload
avogadro/qtgui/pluginlayermanager.h:38
↓ 7 callersMethodloadFromBinaryFile
avogadro/qtplugins/qtaim/qtaimwavefunction.h:76
↓ 7 callersMethodlumo
avogadro/core/basisset.h:234
↓ 7 callersMethodopenFile
avogadro/io/hdf5dataformat.cpp:135
↓ 7 callersMethodrbegin
avogadro/core/array.h:204
↓ 7 callersMethodresize
avogadro/io/hdf5dataformat.cpp:108
↓ 7 callersFunctionscriptFilePath
* @return The path to the generator file. */
avogadro/qtgui/pythonscript.h:50
↓ 7 callersMethodsetAtomPositions3d
avogadro/qtgui/rwmolecule.cpp:164
↓ 7 callersMethodsetAtomicNumber
avogadro/qtplugins/editor/editortoolwidget.cpp:47
↓ 7 callersMethodsetConstraints
avogadro/calc/energycalculator.cpp:108
↓ 7 callersMethodsetData
avogadro/qtplugins/propertytables/propertymodel.cpp:791
↓ 7 callersMethodsetFormalCharge
avogadro/qtplugins/templatetool/templatetoolwidget.cpp:153
↓ 7 callersMethodsetIcon
avogadro/qtplugins/templatetool/templatetool.cpp:98
↓ 7 callersMethodsetOptions
avogadro/qtplugins/svg/svg.cpp:80
↓ 7 callersMethodsetSourceModel
avogadro/qtplugins/propertytables/propertyview.h:29
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