Package org.jmol.shapesurface
Class MolecularOrbital
- java.lang.Object
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- org.jmol.shape.Shape
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- org.jmol.shape.MeshCollection
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- org.jmol.shapesurface.Isosurface
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- org.jmol.shapesurface.MolecularOrbital
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- All Implemented Interfaces:
MeshDataServer,VertexDataServer
- Direct Known Subclasses:
NBO
public class MolecularOrbital extends Isosurface
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Field Summary
Fields Modifier and Type Field Description private java.util.Map<java.lang.String,java.util.Map<java.lang.String,java.lang.Object>>htModelsprivate java.lang.IntegermoColorNegprivate java.lang.IntegermoColorPosprivate java.lang.FloatmoCutoffprivate booleanmoDebugprivate intmoDotsprivate intmoFillprivate intmoFrontOnlyprivate booleanmoIsPositiveOnlyprivate float[]moLinearCombinationprivate intmoMeshprivate java.lang.IntegermoMonteCarloCountprivate intmoNumberprivate javajs.util.P4moPlaneprivate java.lang.IntegermoRandomSeedprivate java.lang.FloatmoResolutionprivate java.lang.FloatmoScaleprivate intmoShellprivate javajs.util.Lst<java.lang.Object>moSlabprivate java.lang.IntegermoSlabValueprivate java.lang.BooleanmoSquareDataprivate java.lang.BooleanmoSquareLinearprivate java.lang.StringmoTitleFormatprivate java.lang.StringmoTranslucencyprivate java.lang.FloatmoTranslucentLevelprivate intmyColorPtprivate java.lang.StringnboTypeprivate java.lang.StringstrIDprivate java.util.Map<java.lang.String,java.lang.Object>thisModel-
Fields inherited from class org.jmol.shapesurface.Isosurface
allowMesh, iHaveBitSets, jvxlData, keyXy, sg, thisMesh
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Fields inherited from class org.jmol.shape.MeshCollection
bsDisplay, colix, color, connections, currentMesh, displayWithinDistance2, displayWithinPoints, explicitID, htObjects, isDisplayWithinNot, isFixed, linkedMesh, meshCount, meshes, modelIndex, nUnnamed, pickedMesh, pickedModel, pickedPt, pickedVertex, PREVIOUS_MESH_ID, previousMeshID, title
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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 Constructor Description MolecularOrbital()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected voidclearSg()private java.lang.StringgetId(int modelIndex)java.lang.StringgetMoInfo(int modelIndex)java.lang.ObjectgetProperty(java.lang.String propertyName, int index)private booleangetSettings(java.lang.String strID)java.lang.StringgetShapeState()voidinitShape()voidmerge(MeshCollection shape)called by ParallelProcessor at completionprivate voidsetOrbital(int moNumber, float[] linearCombination)voidsetProperty(java.lang.String propertyName, java.lang.Object value, 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, invalidateTriangles, newSg, notifySurfaceGenerationCompleted, notifySurfaceMappingCompleted, setOutputChannel, setPropI, setScriptInfo, slabPolygons
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Methods inherited from class org.jmol.shape.MeshCollection
checkExplicit, clean, deleteMeshI, deleteMeshKey, getIndexFromName, getMesh, getMeshList, getPickedPoint, getPropDataMC, getPropMC, resetObjects, setModelVisibilityFlags, setPropMC, setStatusPicked, setTokenProperty
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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 Detail
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moTranslucency
private java.lang.String moTranslucency
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moTranslucentLevel
private java.lang.Float moTranslucentLevel
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moPlane
private javajs.util.P4 moPlane
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moCutoff
private java.lang.Float moCutoff
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moResolution
private java.lang.Float moResolution
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moScale
private java.lang.Float moScale
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moColorPos
private java.lang.Integer moColorPos
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moColorNeg
private java.lang.Integer moColorNeg
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moMonteCarloCount
private java.lang.Integer moMonteCarloCount
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moIsPositiveOnly
private boolean moIsPositiveOnly
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moSquareData
private java.lang.Boolean moSquareData
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moSquareLinear
private java.lang.Boolean moSquareLinear
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moRandomSeed
private java.lang.Integer moRandomSeed
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moFill
private int moFill
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moMesh
private int moMesh
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moDots
private int moDots
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moFrontOnly
private int moFrontOnly
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moShell
private int moShell
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moTitleFormat
private java.lang.String moTitleFormat
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moDebug
private boolean moDebug
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myColorPt
private int myColorPt
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strID
private java.lang.String strID
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moNumber
private int moNumber
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moLinearCombination
private float[] moLinearCombination
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htModels
private java.util.Map<java.lang.String,java.util.Map<java.lang.String,java.lang.Object>> htModels
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thisModel
private java.util.Map<java.lang.String,java.lang.Object> thisModel
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moSlab
private javajs.util.Lst<java.lang.Object> moSlab
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moSlabValue
private java.lang.Integer moSlabValue
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nboType
private java.lang.String nboType
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Method Detail
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initShape
public void initShape()
- Overrides:
initShapein classIsosurface
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setProperty
public void setProperty(java.lang.String propertyName, java.lang.Object value, BS bs)- Overrides:
setPropertyin classIsosurface
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getId
private java.lang.String getId(int modelIndex)
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getProperty
public java.lang.Object getProperty(java.lang.String propertyName, int index)- Overrides:
getPropertyin classIsosurface- Returns:
- true if serviced
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getMoInfo
public java.lang.String getMoInfo(int modelIndex)
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clearSg
protected void clearSg()
- Overrides:
clearSgin classIsosurface
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getSettings
private boolean getSettings(java.lang.String strID)
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setOrbital
private void setOrbital(int moNumber, float[] linearCombination)
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getShapeState
public java.lang.String getShapeState()
- Overrides:
getShapeStatein classIsosurface
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merge
public void merge(MeshCollection shape)
Description copied from class:MeshCollectioncalled by ParallelProcessor at completion- Overrides:
mergein classMeshCollection
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