Package org.jmol.shapesurface
Class MolecularOrbital
java.lang.Object
org.jmol.shape.Shape
org.jmol.shape.MeshCollection
org.jmol.shapesurface.Isosurface
org.jmol.shapesurface.MolecularOrbital
- All Implemented Interfaces:
MeshDataServer
,VertexDataServer
- Direct Known Subclasses:
NBO
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Field Summary
FieldsModifier and TypeFieldDescriptionprivate Integer
private Integer
private Float
private boolean
private int
private int
private int
private boolean
private float[]
private int
private Integer
private int
private javajs.util.P4
private Integer
private Float
private Float
private int
private javajs.util.Lst
<Object> private Integer
private Boolean
private Boolean
private String
private String
private Float
private int
private String
private String
Fields inherited from class org.jmol.shapesurface.Isosurface
allowMesh, iHaveBitSets, isomeshes, keyXy, sg, thisMesh
Fields inherited from class org.jmol.shape.MeshCollection
bsDisplay, colix, color, connections, currentMesh, displayWithinDistance2, displayWithinPoints, explicitID, htObjects, isDisplayWithinNot, isFixed, jvxlData, linkedMesh, meshCount, meshes, modelIndex, nUnnamed, pickedMesh, pickedModel, pickedPt, pickedVertex, PREVIOUS_MESH_ID, previousMeshID, title
Fields inherited from class org.jmol.shape.Shape
bsColixSet, bsSizeSet, isBioShape, ms, myType, RADIUS_MAX, shapeID, translucentAllowed, translucentLevel, vf, vwr
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprotected void
clearSg()
private String
getId
(int modelIndex) getMoInfo
(int modelIndex) getProperty
(String propertyName, int index) private boolean
getSettings
(String strID) void
void
merge
(MeshCollection shape) called by ParallelProcessor at completionprivate void
setOrbital
(int moNumber, float[] linearCombination) void
setProperty
(String propertyName, Object value, javajs.util.BS bs) Methods inherited from class org.jmol.shapesurface.Isosurface
addMeshInfo, addRequiredFile, addTriangleCheck, addVertexCopy, allocMesh, calculateGeodesicSurface, checkObjectClicked, checkObjectHovered, discardTempData, fillMeshData, getCapSlabInfo, getCmd, getPlane, getPolygonColorData, getPropertyData, getPropI, getShapeDetail, getSurfacePointIndexAndFraction, getValue, getValues, getVertices, invalidateTriangles, newSg, notifySurfaceGenerationCompleted, notifySurfaceMappingCompleted, setOutputChannel, setPropI, setRequiredFile, setScriptInfo, slabPolygons
Methods inherited from class org.jmol.shape.MeshCollection
checkExplicit, clean, deleteMeshI, deleteMeshKey, getIndexFromName, getMesh, getMeshList, getPickedPoint, getPropDataMC, getPropMC, resetObjects, setModelVisibilityFlags, setPropMC, setStatusPicked, setTitle, setTokenProperty
Methods inherited from class org.jmol.shape.Shape
appendCmd, checkBoundsMinMax, checkObjectDragged, coordinateInRange, encodeColor, findNearestAtomIndex, getColix, getColixA, getColixB, getColixI, getColorCommand, getColorCommandUnk, getFontCommand, getPropShape, getSize, getSizeG, getTranslucentLabel, initializeShape, initModelSet, replaceGroup, setAtomClickability, setModelSet, setPropS, setShapeSizeRD, setSize, setSizeRD, wasClicked
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Field Details
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moTranslucency
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moTranslucentLevel
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moPlane
private javajs.util.P4 moPlane -
moCutoff
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moResolution
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moScale
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moColorPos
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moColorNeg
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moMonteCarloCount
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moIsPositiveOnly
private boolean moIsPositiveOnly -
moSquareData
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moSquareLinear
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moRandomSeed
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moFill
private int moFill -
moMesh
private int moMesh -
moDots
private int moDots -
moFrontOnly
private int moFrontOnly -
moShell
private int moShell -
moTitleFormat
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moDebug
private boolean moDebug -
myColorPt
private int myColorPt -
strID
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moNumber
private int moNumber -
moLinearCombination
private float[] moLinearCombination -
htModels
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thisModel
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moSlab
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moSlabValue
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nboType
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Constructor Details
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MolecularOrbital
public MolecularOrbital()
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Method Details
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initShape
public void initShape()- Overrides:
initShape
in classIsosurface
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setProperty
- Overrides:
setProperty
in classIsosurface
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getId
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getProperty
- Overrides:
getProperty
in classIsosurface
- Parameters:
propertyName
-index
-- Returns:
- true if serviced
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getMoInfo
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clearSg
protected void clearSg()- Overrides:
clearSg
in classIsosurface
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getSettings
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setOrbital
private void setOrbital(int moNumber, float[] linearCombination) -
getShapeState
- Overrides:
getShapeState
in classIsosurface
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merge
Description copied from class:MeshCollection
called by ParallelProcessor at completion- Overrides:
merge
in classMeshCollection
- Parameters:
shape
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