The CASE Toolkit
Version 1.1.1
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2.3 Adaptors
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The CASE Toolkit Version
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3.1 OEAdaptor
3. API Definitions
Subsections
3.1 OEAdaptor
3.1.1 AdaptVar
3.1.2 ClearPredicates
3.1.3 GetVar
3.2 OECheckpoint0
3.2.1 operator()
3.3 OECheckpoint1
3.3.1 operator()
3.4 OEFComponent
3.4.1 Constructor
3.5 OEFFParams
3.5.1 CreateCopy
3.5.2 GetBendParams
3.5.3 GetContanctDistance
3.5.4 GetCoulombParams
3.5.5 GetEquilibriumAngle
3.5.6 GetEquilibriumBondLength
3.5.7 GetOutOfPlaneParams
3.5.8 GetStretchParams
3.5.9 GetStretchBendParams
3.5.10 GetTorsionParams
3.5.11 GetVdwParams
3.5.12 GetVdwRadius
3.5.13 PrepMol
3.6 OEForceField
3.6.1 operator()
3.6.2 Add
3.6.3 GetFComponents
3.6.4 NumVar
3.6.5 Remove
3.6.6 Set
3.6.7 Setup
3.6.8 PrepMol
3.7 OEFunc0
3.7.1 operator()
3.7.2 GetFComponents
3.7.3 NumVar
3.8 OEFunc1
3.8.1 operator()
3.8.2 GetFComponents
3.8.3 NumVar
3.9 OEGenericFF
3.9.1 Constructor
3.9.2 operator()
3.9.3 Add
3.9.4 GetFComponents
3.9.5 NumVar
3.9.6 Remove
3.9.7 Set
3.9.8 Setup
3.9.9 PrepMol
3.10 OEGetStateName
3.11 OEInteraction
3.11.1 Constructors
3.11.2 NumAtoms
3.11.3 NumValues
3.11.4 GetAtoms
3.11.5 GetName
3.11.6 GetValues
3.12 OEInteractParams
3.12.1 operator[]
3.12.2 Clear
3.13 OEMolAdaptor
3.13.1 operator()
3.13.2 AdaptVar
3.13.3 GetFComponents
3.13.4 GetMolFunc
3.13.5 NumVar
3.13.6 Setup
3.14 OEMolFunc0
3.14.1 operator()
3.14.2 ClearPredicates
3.14.3 GetFComponents
3.14.4 GetInteractions
3.14.5 NumVar
3.14.6 Set
3.14.7 Setup
3.14.8 SetupConf
3.15 OEMolFunc1
3.15.1 operator()
3.15.2 ClearPredicates
3.15.3 GetFComponents
3.15.4 GetInteractions
3.15.5 NumVar
3.15.6 Set
3.15.7 Setup
3.15.8 SetupConf
3.16 OEMolSetup
3.16.1 Setup
3.17 OEOptimizer0
3.17.1 operator()
3.17.2 SetIterLimit
3.18 OEOptimizer1
3.18.1 SetIterLimit
3.18.2 SetTolerance
The CASE Toolkit
Version 1.1.1
Previous:
2.3 Adaptors
Up:
The CASE Toolkit Version
Next:
3.1 OEAdaptor
Documentation released on June 4, 2008.
