MCPcopy Create free account

hub / github.com/OpenChemistry/avogadrolibs / functions

Functions5,508 in github.com/OpenChemistry/avogadrolibs

↓ 7 callersMethodsetTimeStep
avogadro/core/molecule.cpp:1464
↓ 7 callersMethodsetWidth
avogadro/qtplugins/wireframe/wireframe.cpp:215
↓ 7 callersMethodspectraTypes
avogadro/core/molecule.cpp:342
↓ 7 callersMethoduniqueIdentifier
* @brief The persistent unique ID of the bond. * @return The unique ID of the bond. */
avogadro/qtgui/persistentbond.h:75
↓ 7 callersMethodvalue
Simple quadratic energy function for testing
tests/calc/energycalculatortest.cpp:59
↓ 7 callersMethodvertexCount
avogadro/core/graph.cpp:180
↓ 7 callersMethodwait
avogadro/qtplugins/openbabel/obcharges.cpp:49
↓ 7 callersMethodwrite
tests/io/fileformatmanagertest.cpp:189
↓ 6 callersMethod__from_cjson
Use to read cjson formats by converting them to python dictionaries
python/avogadro/cjson.py:27
↓ 6 callersMethodbondPair
avogadro/core/molecule.h:1346
↓ 6 callersMethodclearBonds
avogadro/qtplugins/bonding/bonding.cpp:214
↓ 6 callersMethodcolumnCount
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:77
↓ 6 callersMethodcolumnCount
avogadro/qtplugins/propertytables/propertymodel.cpp:127
↓ 6 callersFunctioncontrastColor
avogadro/core/contrastcolor.h:15
↓ 6 callersMethodcube
avogadro/core/molecule.cpp:906
↓ 6 callersMethoddata
avogadro/qtplugins/surfaces/orbitaltablemodel.cpp:33
↓ 6 callersMethodedges
avogadro/core/graph.cpp:462
↓ 6 callersFunctioneigenvaluesOfASymmetricThreeByThreeMatrix
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:26
↓ 6 callersMethodelectronCount
avogadro/core/basisset.h:282
↓ 6 callersMethodelements
avogadro/core/molecule.h:1111
↓ 6 callersFunctionensureSettingsContext
tests/qtgui/packagemanagertest.cpp:22
↓ 6 callersMethodevaluate
tests/calc/energycalculatortest.cpp:111
↓ 6 callersMethodfindProgramIndices
avogadro/molequeue/molequeuequeuelistmodel.cpp:85
↓ 6 callersMethodformalCharge
avogadro/qtplugins/templatetool/templatetoolwidget.cpp:148
↓ 6 callersMethodheaderData
avogadro/qtplugins/propertytables/propertymodel.cpp:611
↓ 6 callersMethodhybridization
avogadro/core/atom.h:335
↓ 6 callersMethodidentifier
tests/calc/energycalculatortest.cpp:37
↓ 6 callersMethodinUse
* @return True if the process is in use, false otherwise. */
avogadro/qtplugins/openbabel/obprocess.h:52
↓ 6 callersMethodminimumImage
avogadro/core/unitcell.h:356
↓ 6 callersMethodmodifyMolecule
avogadro/qtgui/rwmolecule.cpp:452
↓ 6 callersMethodname
tests/calc/energymanagertest.cpp:38
↓ 6 callersMethodname
tests/calc/energycalculatortest.cpp:39
↓ 6 callersMethodnameForModel
avogadro/calc/chargemanager.cpp:82
↓ 6 callersMethodnames
avogadro/core/variantmap.cpp:20
↓ 6 callersFunctionniggliSign
avogadro/core/crystaltools.cpp:182
↓ 6 callersMethodpartialCharges
avogadro/qtplugins/openbabel/obcharges.cpp:159
↓ 6 callersMethodremoveAtom
avogadro/qtgui/rwmolecule.h:794
↓ 6 callersMethodremoveBond
avogadro/qtgui/rwmolecule.h:899
↓ 6 callersMethodremoveVertex
avogadro/core/graph.cpp:72
↓ 6 callersMethodrend
avogadro/core/array.h:206
↓ 6 callersFunctionrender
tests/qtopengl/qttextrenderstrategytest.cpp:124
↓ 6 callersFunctionrstrip
* @brief Remove trailing part of `str` after `c` */
avogadro/core/utilities.h:100
↓ 6 callersMethodsetActiveCubeIndex
avogadro/core/molecule.cpp:931
↓ 6 callersMethodsetBondOrder
avogadro/core/molecule.cpp:1570
↓ 6 callersMethodsetColor
avogadro/core/atom.h:365
↓ 6 callersMethodsetConstraints
avogadro/qtplugins/constraints/constraintsmodel.cpp:23
↓ 6 callersMethodsetCustomElementMap
avogadro/core/molecule.cpp:588
↓ 6 callersMethodsetResidueColor
avogadro/qtgui/rwmolecule.cpp:279
↓ 6 callersMethodspectra
avogadro/core/molecule.cpp:355
↓ 6 callersMethodtypes
avogadro/core/atomtyper-inline.h:64
↓ 6 callersFunctionwriteFixedInt
avogadro/quantumio/gaussiancube.cpp:262
↓ 5 callersFunction_write_frame_parts
Write one frame from multiple payload parts to avoid temporary large copies.
python/avogadro/energy.py:204
↓ 5 callersMethodactiveLayerLocked
avogadro/qtgui/pluginlayermanager.cpp:125
↓ 5 callersMethodaddAtomToActiveLayer
avogadro/core/layer.cpp:29
↓ 5 callersMethodaddCube
avogadro/core/molecule.cpp:900
↓ 5 callersMethodaddPlot
avogadro/qtgui/chartwidget.cpp:69
↓ 5 callersMethodaddSingleArrow
avogadro/rendering/arrowgeometry.cpp:365
↓ 5 callersFunctionassertEqual
tests/core/utils.h:24
↓ 5 callersMethodbackgroundColor
* @brief Set Background Color to it's current value. */
avogadro/rendering/solidpipeline.h:73
↓ 5 callersMethodbondOrder
avogadro/qtplugins/editor/editortoolwidget.cpp:77
↓ 5 callersMethodboundingBox
avogadro/core/molecule.cpp:1824
↓ 5 callersMethodclear
avogadro/rendering/scene.cpp:48
↓ 5 callersMethodclearBonds
avogadro/core/molecule.cpp:787
↓ 5 callersMethodclearPlots
avogadro/qtgui/chartwidget.cpp:212
↓ 5 callersMethodclone
avogadro/core/layermanager.h:42
↓ 5 callersMethodclosestIndex
avogadro/core/cube.cpp:157
↓ 5 callersMethodconstraints
avogadro/calc/energycalculator.cpp:137
↓ 5 callersFunctionconsumeAtomicNumber
tests/core/fuzzhelpers.h:110
↓ 5 callersFunctionconsumeString
* Consume a random-length string from remaining fuzz data. */
tests/core/fuzzhelpers.h:105
↓ 5 callersFunctionconsumeVector3
tests/core/fuzzhelpers.h:116
↓ 5 callersMethoddisableAttributeArray
avogadro/rendering/shaderprogram.cpp:239
↓ 5 callersMethoddisplayName
avogadro/molequeue/inputgenerator.cpp:97
↓ 5 callersFunctioneigenvectorsOfASymmetricThreeByThreeMatrix
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:33
↓ 5 callersMethodendpoints
avogadro/core/graph.cpp:468
↓ 5 callersMethodevaluate
avogadro/calc/uff.cpp:1117
↓ 5 callersMethodfileFormatsFromFileExtension
avogadro/io/fileformatmanager.cpp:270
↓ 5 callersMethodgradient
tests/calc/energycalculatortest.cpp:105
↓ 5 callersMethodhasAtomByIndex
avogadro/core/residue.cpp:156
↓ 5 callersMethodidentifier
tests/io/fileformatmanagertest.cpp:194
↓ 5 callersMethodimageOffset
avogadro/core/unitcell.h:241
↓ 5 callersMethodinitialize
avogadro/qtgui/meshgenerator.cpp:38
↓ 5 callersFunctioninternalToCartesian
avogadro/core/internalcoordinates.cpp:13
↓ 5 callersFunctionisBooleanArray
avogadro/io/cjsonformat.cpp:69
↓ 5 callersFunctionisVisible
* @brief Get the current visibility of the node. * @return True if visible. */
avogadro/rendering/node.h:55
↓ 5 callersMethodisotope
avogadro/qtgui/rwmolecule.h:839
↓ 5 callersMethodload
avogadro/quantumio/orca.cpp:1188
↓ 5 callersMethodname
avogadro/core/elements.cpp:205
↓ 5 callersMethodnewFormatFromMimeType
avogadro/io/fileformatmanager.cpp:214
↓ 5 callersMethodpartialCharges
avogadro/core/molecule.cpp:322
↓ 5 callersMethodpreTranslate
avogadro/rendering/camera.cpp:49
↓ 5 callersMethodreset
avogadro/core/atomtyper-inline.h:70
↓ 5 callersMethodrowCount
avogadro/qtplugins/propertytables/propertymodel.cpp:100
↓ 5 callersMethodrun
avogadro/core/atomtyper-inline.h:36
↓ 5 callersMethodsaveToBinaryFile
avogadro/qtplugins/qtaim/qtaimwavefunction.h:43
↓ 5 callersFunctionsetActiveWidget
* Set the active widget used by the tool, this can be anything derived from * QWidget. */
avogadro/qtgui/toolplugin.h:170
↓ 5 callersMethodsetAtomLabel
avogadro/core/molecule.h:1228
↓ 5 callersMethodsetBetaSpheres
avogadro/qtplugins/qtaim/qtaimodeintegrator.h:56
↓ 5 callersMethodsetCanMerge
avogadro/qtgui/rwmolecule_undo.h:68
↓ 5 callersMethodsetCellParameters
avogadro/core/unitcell.cpp:22
↓ 5 callersMethodsetColors
avogadro/core/mesh.cpp:139
← previousnext →401–500 of 5,508, ranked by callers