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github.com/OpenChemistry/avogadrolibs
/ functions
Functions
5,508 in github.com/OpenChemistry/avogadrolibs
⨍
Functions
5,508
◇
Types & classes
1,034
↓ 2 callers
Function
fileExists
tests/io/hdf5test.cpp:18
↓ 2 callers
Method
fileExtensions
avogadro/io/fileformatmanager.cpp:241
↓ 2 callers
Method
fileFormats
avogadro/qtgui/extensionplugin.cpp:16
↓ 2 callers
Method
fileNames
avogadro/molequeue/inputgenerator.cpp:328
↓ 2 callers
Function
findInstalledScript
Locate an installed console script inside a pixi or venv environment.
avogadro/qtgui/packagemanager.cpp:112
↓ 2 callers
Method
finiteGradient
avogadro/calc/energycalculator.cpp:52
↓ 2 callers
Function
flushEvents
tests/qtgui/inputgeneratorwidgettest.cpp:32
↓ 2 callers
Function
foreach
avogadro/qtplugins/copypaste/copypaste.cpp:262
↓ 2 callers
Method
fuzzParseHighlightStyles
tests/qtgui/fuzz-interfacescript-json.cpp:53
↓ 2 callers
Method
generateCoordinateBlock
avogadro/qtgui/interfacescript.cpp:638
↓ 2 callers
Method
generateInput
avogadro/molequeue/inputgenerator.cpp:162
↓ 2 callers
Function
getBB
avogadro/qtplugins/resetview/resetview.cpp:127
↓ 2 callers
Method
getData
avogadro/core/cube.cpp:292
↓ 2 callers
Function
getMetaData
()
avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py:9
↓ 2 callers
Function
getZDistance
avogadro/qtplugins/resetview/resetview.cpp:115
↓ 2 callers
Method
gradientAndHessianOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:399
↓ 2 callers
Method
gradientAndHessianOfElectronDensityLaplacian
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:1369
↓ 2 callers
Function
handlePartialCharges
Helper function to handle partial charge property blocks e.g. PUBCHEM_MMFF94_PARTIAL_CHARGES
avogadro/io/mdlformat.cpp:47
↓ 2 callers
Method
headerData
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:151
↓ 2 callers
Function
heap_free
note that heap_free does not deallocate anything referenced by the items */
avogadro/qtplugins/qtaim/qtaimcubature.cpp:879
↓ 2 callers
Function
heap_pop
avogadro/qtplugins/qtaim/qtaimcubature.cpp:923
↓ 2 callers
Function
heap_push
avogadro/qtplugins/qtaim/qtaimcubature.cpp:887
↓ 2 callers
Function
heap_push_many
avogadro/qtplugins/qtaim/qtaimcubature.cpp:914
↓ 2 callers
Function
height
* Get the height of the viewport in pixels. */
avogadro/rendering/camera.h:162
↓ 2 callers
Method
hits
avogadro/rendering/drawable.cpp:34
↓ 2 callers
Method
identifier
tests/calc/energymanagertest.cpp:37
↓ 2 callers
Method
index
avogadro/core/bond.h:190
↓ 2 callers
Function
initializePositionFramebuffer
Floating-point framebuffer for storing world positions
avogadro/rendering/volumegeometry.cpp:161
↓ 2 callers
Method
instance
avogadro/qtplugins/pluginmanager.cpp:73
↓ 2 callers
Function
integrate
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1091
↓ 2 callers
Method
isConnected
avogadro/molequeue/client/client.cpp:19
↓ 2 callers
Function
isDouble
Checks whether the data stored in the binary file is of float or double type */
avogadro/io/trrformat.cpp:56
↓ 2 callers
Method
isEnabled
avogadro/qtplugins/symmetry/symmetryscene.cpp:136
↓ 2 callers
Function
isMode
* @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 callers
Method
isOpen
avogadro/io/hdf5dataformat.cpp:130
↓ 2 callers
Method
isType
avogadro/core/coordinateset.h:32
↓ 2 callers
Method
isUnique
avogadro/core/ringperceiver.cpp:279
↓ 2 callers
Function
isValid
* @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 callers
Method
isValid
avogadro/core/ringperceiver.cpp:268
↓ 2 callers
Method
isosurfaceValue
avogadro/qtplugins/surfaces/surfacedialog.cpp:282
↓ 2 callers
Method
isovalue
avogadro/qtplugins/surfaces/orbitalwidget.h:43
↓ 2 callers
Function
isqr
avogadro/qtplugins/qtaim/qtaimcubature.cpp:518
↓ 2 callers
Function
libraryDirectory
avogadro/qtgui/utilities.cpp:15
↓ 2 callers
Method
lookAt
avogadro/rendering/camera.cpp:72
↓ 2 callers
Method
lookupProgram
avogadro/molequeue/molequeuequeuelistmodel.cpp:96
↓ 2 callers
Method
mainFileName
avogadro/molequeue/inputgenerator.cpp:333
↓ 2 callers
Function
makeRandomVariant
Build a random Variant from fuzz data
tests/core/fuzz-variantmap.cpp:25
↓ 2 callers
Function
make_rule
avogadro/qtplugins/qtaim/qtaimcubature.cpp:325
↓ 2 callers
Method
markDirty
avogadro/rendering/textlabelbase.cpp:371
↓ 2 callers
Method
mimeTypes
avogadro/io/fileformatmanager.cpp:235
↓ 2 callers
Method
molecule
* @return The molecule the atom is a part of. */
avogadro/qtgui/persistentatom.h:69
↓ 2 callers
Method
monoisotopicMass
avogadro/core/molecule.cpp:1030
↓ 2 callers
Function
name
avogadro/core/cube.h:232
↓ 2 callers
Method
name
avogadro/qtplugins/surfaces/orbitals.h:49
↓ 2 callers
Method
name
avogadro/qtplugins/copypaste/copypaste.h:31
↓ 2 callers
Method
newInstance
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:147
↓ 2 callers
Method
newInstance
avogadro/qtplugins/scriptfileformats/fileformatscript.cpp:111
↓ 2 callers
Method
openOutput
avogadro/molequeue/molequeuewidget.cpp:117
↓ 2 callers
Method
options
avogadro/qtplugins/forcefield/forcefielddialog.cpp:94
↓ 2 callers
Method
options
avogadro/qtplugins/openbabel/obforcefielddialog.cpp:68
↓ 2 callers
Method
orbitalIndex
avogadro/qtplugins/surfaces/orbitaltablemodel.cpp:174
↓ 2 callers
Method
packageInfo
avogadro/qtgui/packagemanager.cpp:670
↓ 2 callers
Method
parent
avogadro/molequeue/molequeuequeuelistmodel.cpp:191
↓ 2 callers
Function
parseJsonNumericArray
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:49
↓ 2 callers
Function
parseTomlToJson
avogadro/qtgui/tomlparse.cpp:106
↓ 2 callers
Function
parseUnsigned
utilities/benchmarks/uffbenchmark.cpp:76
↓ 2 callers
Function
partialChargeType
avogadro/qtplugins/propertytables/propertymodel.cpp:153
↓ 2 callers
Method
precalcLimit
avogadro/qtplugins/surfaces/orbitalwidget.h:46
↓ 2 callers
Method
precalcRange
avogadro/qtplugins/surfaces/orbitalwidget.h:47
↓ 2 callers
Method
queues
avogadro/molequeue/molequeuequeuelistmodel.cpp:68
↓ 2 callers
Method
radius
avogadro/rendering/scene.cpp:38
↓ 2 callers
Function
rainbowGradient
TODO - read colormap gradients (e.g., turbo)
avogadro/qtplugins/applycolors/applycolors.cpp:177
↓ 2 callers
Method
readFile
avogadro/io/fileformat.cpp:121
↓ 2 callers
Function
readRandomType
Read the variant as a random output type
tests/core/fuzz-variant.cpp:86
↓ 2 callers
Function
read_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 callers
Method
readmeUrl
avogadro/qtplugins/packageinstaller/packagemodel.cpp:377
↓ 2 callers
Method
recommendedModel
avogadro/calc/chargemanager.cpp:131
↓ 2 callers
Method
ref
avogadro/core/array.h:71
↓ 2 callers
Function
relError
avogadro/qtplugins/qtaim/qtaimcubature.cpp:167
↓ 2 callers
Method
reloadOptions
avogadro/qtgui/interfacewidget.cpp:49
↓ 2 callers
Function
removeFromMap
avogadro/io/fileformatmanager.cpp:166
↓ 2 callers
Method
removeLayer
avogadro/qtgui/rwlayermanager.cpp:192
↓ 2 callers
Method
render
avogadro/qtplugins/ply/ply.cpp:62
↓ 2 callers
Function
renderCartoon
avogadro/qtplugins/cartoons/cartoons.cpp:346
↓ 2 callers
Function
renderTube
avogadro/qtplugins/cartoons/cartoons.cpp:308
↓ 2 callers
Method
reset
avogadro/qtgui/persistentbond.h:110
↓ 2 callers
Method
resetTexture
avogadro/rendering/textlabelbase.cpp:346
↓ 2 callers
Method
residueLabel
avogadro/core/molecule.cpp:1509
↓ 2 callers
Function
residueNameToOffset
avogadro/qtplugins/applycolors/applycolors.cpp:495
↓ 2 callers
Method
resize
avogadro/rendering/glrenderer.cpp:73
↓ 2 callers
Method
result
Default constructor
avogadro/qtplugins/importpqr/pqrrequest.h:107
↓ 2 callers
Method
run
avogadro/qtplugins/commandscripts/command.cpp:257
↓ 2 callers
Function
runSetupScript
Run a package's *-setup script (e.g. to download ML model weights).
avogadro/qtgui/packagemanager.cpp:351
↓ 2 callers
Method
scale
avogadro/rendering/camera.cpp:64
↓ 2 callers
Method
selectRow
avogadro/qtplugins/vibrations/vibrationdialog.cpp:83
↓ 2 callers
Method
sendRequest
* @brief Sends a network request to search for molecules from PQR; * @param url The url to query */
avogadro/qtplugins/importpqr/pqrrequest.cpp:41
↓ 2 callers
Function
set
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 callers
Method
setAVector
avogadro/core/unitcell.h:203
↓ 2 callers
Method
setActive
avogadro/qtgui/containerwidget.cpp:58
↓ 2 callers
Method
setActiveLayer
avogadro/qtgui/rwlayermanager.cpp:220
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