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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
↓ 7 callers
Method
setTimeStep
avogadro/core/molecule.cpp:1464
↓ 7 callers
Method
setWidth
avogadro/qtplugins/wireframe/wireframe.cpp:215
↓ 7 callers
Method
spectraTypes
avogadro/core/molecule.cpp:342
↓ 7 callers
Method
uniqueIdentifier
* @brief The persistent unique ID of the bond. * @return The unique ID of the bond. */
avogadro/qtgui/persistentbond.h:75
↓ 7 callers
Method
value
Simple quadratic energy function for testing
tests/calc/energycalculatortest.cpp:59
↓ 7 callers
Method
vertexCount
avogadro/core/graph.cpp:180
↓ 7 callers
Method
wait
avogadro/qtplugins/openbabel/obcharges.cpp:49
↓ 7 callers
Method
write
tests/io/fileformatmanagertest.cpp:189
↓ 6 callers
Method
__from_cjson
Use to read cjson formats by converting them to python dictionaries
python/avogadro/cjson.py:27
↓ 6 callers
Method
bondPair
avogadro/core/molecule.h:1346
↓ 6 callers
Method
clearBonds
avogadro/qtplugins/bonding/bonding.cpp:214
↓ 6 callers
Method
columnCount
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:77
↓ 6 callers
Method
columnCount
avogadro/qtplugins/propertytables/propertymodel.cpp:127
↓ 6 callers
Function
contrastColor
avogadro/core/contrastcolor.h:15
↓ 6 callers
Method
cube
avogadro/core/molecule.cpp:906
↓ 6 callers
Method
data
avogadro/qtplugins/surfaces/orbitaltablemodel.cpp:33
↓ 6 callers
Method
edges
avogadro/core/graph.cpp:462
↓ 6 callers
Function
eigenvaluesOfASymmetricThreeByThreeMatrix
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:26
↓ 6 callers
Method
electronCount
avogadro/core/basisset.h:282
↓ 6 callers
Method
elements
avogadro/core/molecule.h:1111
↓ 6 callers
Function
ensureSettingsContext
tests/qtgui/packagemanagertest.cpp:22
↓ 6 callers
Method
evaluate
tests/calc/energycalculatortest.cpp:111
↓ 6 callers
Method
findProgramIndices
avogadro/molequeue/molequeuequeuelistmodel.cpp:85
↓ 6 callers
Method
formalCharge
avogadro/qtplugins/templatetool/templatetoolwidget.cpp:148
↓ 6 callers
Method
headerData
avogadro/qtplugins/propertytables/propertymodel.cpp:611
↓ 6 callers
Method
hybridization
avogadro/core/atom.h:335
↓ 6 callers
Method
identifier
tests/calc/energycalculatortest.cpp:37
↓ 6 callers
Method
inUse
* @return True if the process is in use, false otherwise. */
avogadro/qtplugins/openbabel/obprocess.h:52
↓ 6 callers
Method
minimumImage
avogadro/core/unitcell.h:356
↓ 6 callers
Method
modifyMolecule
avogadro/qtgui/rwmolecule.cpp:452
↓ 6 callers
Method
name
tests/calc/energymanagertest.cpp:38
↓ 6 callers
Method
name
tests/calc/energycalculatortest.cpp:39
↓ 6 callers
Method
nameForModel
avogadro/calc/chargemanager.cpp:82
↓ 6 callers
Method
names
avogadro/core/variantmap.cpp:20
↓ 6 callers
Function
niggliSign
avogadro/core/crystaltools.cpp:182
↓ 6 callers
Method
partialCharges
avogadro/qtplugins/openbabel/obcharges.cpp:159
↓ 6 callers
Method
removeAtom
avogadro/qtgui/rwmolecule.h:794
↓ 6 callers
Method
removeBond
avogadro/qtgui/rwmolecule.h:899
↓ 6 callers
Method
removeVertex
avogadro/core/graph.cpp:72
↓ 6 callers
Method
rend
avogadro/core/array.h:206
↓ 6 callers
Function
render
tests/qtopengl/qttextrenderstrategytest.cpp:124
↓ 6 callers
Function
rstrip
* @brief Remove trailing part of `str` after `c` */
avogadro/core/utilities.h:100
↓ 6 callers
Method
setActiveCubeIndex
avogadro/core/molecule.cpp:931
↓ 6 callers
Method
setBondOrder
avogadro/core/molecule.cpp:1570
↓ 6 callers
Method
setColor
avogadro/core/atom.h:365
↓ 6 callers
Method
setConstraints
avogadro/qtplugins/constraints/constraintsmodel.cpp:23
↓ 6 callers
Method
setCustomElementMap
avogadro/core/molecule.cpp:588
↓ 6 callers
Method
setResidueColor
avogadro/qtgui/rwmolecule.cpp:279
↓ 6 callers
Method
spectra
avogadro/core/molecule.cpp:355
↓ 6 callers
Method
types
avogadro/core/atomtyper-inline.h:64
↓ 6 callers
Function
writeFixedInt
avogadro/quantumio/gaussiancube.cpp:262
↓ 5 callers
Function
_write_frame_parts
Write one frame from multiple payload parts to avoid temporary large copies.
python/avogadro/energy.py:204
↓ 5 callers
Method
activeLayerLocked
avogadro/qtgui/pluginlayermanager.cpp:125
↓ 5 callers
Method
addAtomToActiveLayer
avogadro/core/layer.cpp:29
↓ 5 callers
Method
addCube
avogadro/core/molecule.cpp:900
↓ 5 callers
Method
addPlot
avogadro/qtgui/chartwidget.cpp:69
↓ 5 callers
Method
addSingleArrow
avogadro/rendering/arrowgeometry.cpp:365
↓ 5 callers
Function
assertEqual
tests/core/utils.h:24
↓ 5 callers
Method
backgroundColor
* @brief Set Background Color to it's current value. */
avogadro/rendering/solidpipeline.h:73
↓ 5 callers
Method
bondOrder
avogadro/qtplugins/editor/editortoolwidget.cpp:77
↓ 5 callers
Method
boundingBox
avogadro/core/molecule.cpp:1824
↓ 5 callers
Method
clear
avogadro/rendering/scene.cpp:48
↓ 5 callers
Method
clearBonds
avogadro/core/molecule.cpp:787
↓ 5 callers
Method
clearPlots
avogadro/qtgui/chartwidget.cpp:212
↓ 5 callers
Method
clone
avogadro/core/layermanager.h:42
↓ 5 callers
Method
closestIndex
avogadro/core/cube.cpp:157
↓ 5 callers
Method
constraints
avogadro/calc/energycalculator.cpp:137
↓ 5 callers
Function
consumeAtomicNumber
tests/core/fuzzhelpers.h:110
↓ 5 callers
Function
consumeString
* Consume a random-length string from remaining fuzz data. */
tests/core/fuzzhelpers.h:105
↓ 5 callers
Function
consumeVector3
tests/core/fuzzhelpers.h:116
↓ 5 callers
Method
disableAttributeArray
avogadro/rendering/shaderprogram.cpp:239
↓ 5 callers
Method
displayName
avogadro/molequeue/inputgenerator.cpp:97
↓ 5 callers
Function
eigenvectorsOfASymmetricThreeByThreeMatrix
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:33
↓ 5 callers
Method
endpoints
avogadro/core/graph.cpp:468
↓ 5 callers
Method
evaluate
avogadro/calc/uff.cpp:1117
↓ 5 callers
Method
fileFormatsFromFileExtension
avogadro/io/fileformatmanager.cpp:270
↓ 5 callers
Method
gradient
tests/calc/energycalculatortest.cpp:105
↓ 5 callers
Method
hasAtomByIndex
avogadro/core/residue.cpp:156
↓ 5 callers
Method
identifier
tests/io/fileformatmanagertest.cpp:194
↓ 5 callers
Method
imageOffset
avogadro/core/unitcell.h:241
↓ 5 callers
Method
initialize
avogadro/qtgui/meshgenerator.cpp:38
↓ 5 callers
Function
internalToCartesian
avogadro/core/internalcoordinates.cpp:13
↓ 5 callers
Function
isBooleanArray
avogadro/io/cjsonformat.cpp:69
↓ 5 callers
Function
isVisible
* @brief Get the current visibility of the node. * @return True if visible. */
avogadro/rendering/node.h:55
↓ 5 callers
Method
isotope
avogadro/qtgui/rwmolecule.h:839
↓ 5 callers
Method
load
avogadro/quantumio/orca.cpp:1188
↓ 5 callers
Method
name
avogadro/core/elements.cpp:205
↓ 5 callers
Method
newFormatFromMimeType
avogadro/io/fileformatmanager.cpp:214
↓ 5 callers
Method
partialCharges
avogadro/core/molecule.cpp:322
↓ 5 callers
Method
preTranslate
avogadro/rendering/camera.cpp:49
↓ 5 callers
Method
reset
avogadro/core/atomtyper-inline.h:70
↓ 5 callers
Method
rowCount
avogadro/qtplugins/propertytables/propertymodel.cpp:100
↓ 5 callers
Method
run
avogadro/core/atomtyper-inline.h:36
↓ 5 callers
Method
saveToBinaryFile
avogadro/qtplugins/qtaim/qtaimwavefunction.h:43
↓ 5 callers
Function
setActiveWidget
* Set the active widget used by the tool, this can be anything derived from * QWidget. */
avogadro/qtgui/toolplugin.h:170
↓ 5 callers
Method
setAtomLabel
avogadro/core/molecule.h:1228
↓ 5 callers
Method
setBetaSpheres
avogadro/qtplugins/qtaim/qtaimodeintegrator.h:56
↓ 5 callers
Method
setCanMerge
avogadro/qtgui/rwmolecule_undo.h:68
↓ 5 callers
Method
setCellParameters
avogadro/core/unitcell.cpp:22
↓ 5 callers
Method
setColors
avogadro/core/mesh.cpp:139
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