Shape Toolkit
Java Programming Manual
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2 OEShape API
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2 OEShape API
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7.1 OEBestOverlay
7. Classes
Subsections
7.1 OEBestOverlay
7.1.1 Constructors
7.1.2 operator=
7.1.3 ClearColorForceField
7.1.4 GetAllColor
7.1.5 GetCarbonRadius
7.1.6 GetInertialAxialDivisions
7.1.7 GetInitialOrientation
7.1.8 GetMaxRandomTranslation
7.1.9 GetMethod
7.1.10 GetMinimizeType
7.1.11 GetNumRandomStarts
7.1.12 GetRadiiApproximation
7.1.13 GetRandomSeed
7.1.14 GetRefGrid
7.1.15 GetRefMol
7.1.16 GetRefSelfColor
7.1.17 GetRefSymmetry
7.1.18 GetRepresentationLevel
7.1.19 GetSymmetryThreshold
7.1.20 GetUseHydrogens
7.1.21 Overlay
7.1.22 SetAllColor
7.1.23 SetCarbonRadius
7.1.24 SetColorForceField
7.1.25 SetColorOptimize
7.1.26 SetInertialAxialDivisions
7.1.27 SetInitialOrientation
7.1.28 SetMaxRandomTranslation
7.1.29 SetMethod
7.1.30 SetMinimizeType
7.1.31 SetNumRandomStarts
7.1.32 SetRadiiApproximation
7.1.33 SetRandomSeed
7.1.34 SetRefGrid
7.1.35 SetRefMol
7.1.36 SetRepresentationLevel
7.1.37 SetSymmetryThreshold
7.1.38 SetUseHydrogens
7.2 OEBestOverlayResults
7.2.1 Constructors
7.2.2 operator=
7.2.3 AddScore
7.2.4 Clear
7.2.5 GetScores
7.3 OEBestOverlayScore
7.3.1 Constructors
7.3.2 GetColorTanimoto
7.3.3 GetColorTversky
7.3.4 GetComboScore
7.3.5 GetTanimotoCombo
7.3.6 GetFitColorTversky
7.3.7 GetFitTversky
7.3.8 GetFitTverskyCombo
7.3.9 GetRefColorTversky
7.3.10 GetRefTversky
7.3.11 GetRefTverskyCombo
7.3.12 GetTversky
7.3.13 Transform
7.4 OEColorForceField
7.4.1 Constructors
7.4.2 operator=
7.4.3 AddColorer
7.4.4 AddInteraction
7.4.5 AddType
7.4.6 Clear
7.4.7 ClearInteractions
7.4.8 GetTitle
7.4.9 GetType
7.4.10 GetTypeName
7.4.11 Init
7.4.12 Ready
7.4.13 SetTitle
7.4.14 Write
7.5 OEColorOverlap
7.5.1 Constructors
7.5.2 operator=
7.5.3 ColorScore
7.5.4 GetAllColor
7.5.5 GetSelfColor
7.5.6 SetAllColor
7.5.7 SetColorForceField
7.5.8 SetFitMol
7.5.9 SetRefMol
7.6 OEColorResults
7.6.1 Constructors
7.6.2 GetFitTversky
7.6.3 GetRefTversky
7.6.4 GetTanimoto
7.6.5 GetTversky
7.7 OEHighestColorTanimoto
7.8 OEHighestComboScore
7.9 OEHighestFitColorTversky
7.10 OEHighestFitTversky
7.11 OEHighestFitTverskyCombo
7.12 OEHighestOverlap
7.13 OEHighestRefColorTversky
7.14 OEHighestRefTversky
7.15 OEHighestRefTverskyCombo
7.16 OEHighestScaledColor
7.17 OEHighestTanimoto
7.18 OEHighestTanimotoCombo
7.19 OEOverlap
7.19.1 Constructors
7.19.2 operator=
7.19.3 GetCarbonRadius
7.19.4 GetHandle
7.19.5 GetMethod
7.19.6 GetRadiiApproximation
7.19.7 GetRepresentationLevel
7.19.8 GetUseHydrogens
7.19.9 Overlap
7.19.10 SetCarbonRadius
7.19.11 SetFitGrid
7.19.12 SetFitMol
7.19.13 SetMethod
7.19.14 SetRadiiApproximation
7.19.15 SetRefGrid
7.19.16 SetRefMol
7.19.17 SetRepresentationLevel
7.19.18 SetUseHydrogens
7.20 OEOverlapResults
7.20.1 Constructors
7.20.2 GetFitTversky
7.20.3 GetRefTversky
7.20.4 GetTversky
Shape Toolkit
Java Programming Manual
Previous:
2 OEShape API
Up:
2 OEShape API
Next:
7.1 OEBestOverlay
Documentation released on June 4, 2008.