Uses of Class
ffx.potential.parameters.TorsionType
Packages that use TorsionType
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Parameters package stores force field atom types, bond types, etc, and keywords that define
the potential.
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Uses of TorsionType in ffx.potential.bonded
Fields in ffx.potential.bonded declared as TorsionTypeMethods in ffx.potential.bonded with parameters of type TorsionTypeModifier and TypeMethodDescriptionvoidTorsion.setTorsionType(TorsionType torsionType) Set the torsion type. -
Uses of TorsionType in ffx.potential.parameters
Methods in ffx.potential.parameters that return TorsionTypeModifier and TypeMethodDescriptionstatic TorsionTypeTorsionType.average(TorsionType torsionType1, TorsionType torsionType2, int[] atomClasses) Average two TorsionTypes.ForceField.getTorsionType(AtomType a0, AtomType a1, AtomType a2, AtomType a3) getTorsionTypeForceField.getTorsionType(String key) getTorsionTypestatic TorsionTypeConstruct a TorsionType from an input string.static TorsionTypeTorsionType.parseImproper(String input, String[] tokens) Construct a TorsionType withTorsionMode.IMPROPERfrom an input string.TorsionType.patchClasses(HashMap<AtomType, AtomType> typeMap) Remap new atom classes to known internal ones.Methods in ffx.potential.parameters that return types with arguments of type TorsionTypeMethods in ffx.potential.parameters with parameters of type TorsionTypeModifier and TypeMethodDescriptionstatic TorsionTypeTorsionType.average(TorsionType torsionType1, TorsionType torsionType2, int[] atomClasses) Average two TorsionTypes.