Uses of Class
ffx.openmm.Context
Packages that use Context
Package
Description
The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API
for the AMOEBA model.
The Drude package includes Java classes that are analogues of the OpenMM C++ API
for the Charmm Drude model.
The openmm package contains utilities to construct and run Force Field X
potentials on the OpenMM platform, including system builders, custom forces,
alchemical fixed-charge forces, and integrators tailored to FFX simulations.
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Uses of Context in ffx.openmm
Methods in ffx.openmm with parameters of type ContextModifier and TypeMethodDescriptiondouble
MonteCarloBarostat.computeCurrentPressure
(Context context) Compute the instantaneous pressure of a system to which this barostat is applied.void
MonteCarloFlexibleBarostat.computeCurrentPressure
(Context context, com.sun.jna.ptr.PointerByReference pressure) Compute the current pressure in the system.void
CustomCVForce.getCollectiveVariableValues
(Context context, com.sun.jna.ptr.PointerByReference values) Get the values of all collective variables in a given context.com.sun.jna.ptr.PointerByReference
CustomCVForce.getInnerContext
(Context context) Get the inner context used for evaluating collective variables.void
ATMForce.getPerturbationEnergy
(Context context, com.sun.jna.ptr.DoubleByReference u0, com.sun.jna.ptr.DoubleByReference u1, com.sun.jna.ptr.DoubleByReference energy) Returns the current perturbation energy.void
ATMForce.getPerturbationEnergy
(Context context, DoubleBuffer u0, DoubleBuffer u1, DoubleBuffer energy) Returns the current perturbation energy.Platform.getPropertyValue
(Context context, String property) Get the value of a context-specific platform property.void
Platform.setPropertyValue
(Context context, String property, String value) Set the value of a context-specific platform property.void
ATMForce.updateParametersInContext
(Context context) Update the per-particle parameters in a Context to match those stored in this Force object.void
CMAPTorsionForce.updateParametersInContext
(Context context) Update the map and torsion parameters in a Context to match those stored in this Force object.void
CustomAngleForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
CustomBondForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
CustomCentroidBondForce.updateParametersInContext
(Context context) Update the per-bond parameters and tabulated functions in a Context to match those stored in this Force object.void
CustomCompoundBondForce.updateParametersInContext
(Context context) Update the parameters in the context.void
CustomCVForce.updateParametersInContext
(Context context) Update the parameters in a Context to match those stored in this Force object.void
CustomExternalForce.updateParametersInContext
(Context context) Update the parameters in the context.void
CustomGBForce.updateParametersInContext
(Context context) Update the parameters in the context.void
CustomHbondForce.updateParametersInContext
(Context context) Update the parameters in a Context to match those stored in this Force object.void
CustomManyParticleForce.updateParametersInContext
(Context context) Update the per-particle parameters and tabulated functions in a Context to match those stored in this Force object.void
CustomNonbondedForce.updateParametersInContext
(Context context) Update the per-particle parameters and tabulated functions in a Context to match those stored in this Force object.void
CustomTorsionForce.updateParametersInContext
(Context context) Update the per-torsion parameters in a Context to match those stored in this Force object.void
GayBerneForce.updateParametersInContext
(Context context) Update the parameters in a Context to match those stored in this Force object.void
GBSAOBCForce.updateParametersInContext
(Context context) Update the particle parameters in a Context to match those stored in this Force object.void
HarmonicAngleForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
HarmonicBondForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
NonbondedForce.updateParametersInContext
(Context context) Update the parameters in the context.void
PeriodicTorsionForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
RBTorsionForce.updateParametersInContext
(Context context) Update the parameters in the OpenMM Context.void
RMSDForce.updateParametersInContext
(Context context) Update the reference positions and particle indices in a Context to match those stored in this Force object. -
Uses of Context in ffx.openmm.amoeba
Methods in ffx.openmm.amoeba with parameters of type ContextModifier and TypeMethodDescriptionvoid
HippoNonbondedForce.getDPMEParametersInContext
(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the DPME parameters in context.void
HippoNonbondedForce.getDPMEParametersInContext
(Context context, DoubleBuffer alpha, IntBuffer nx, IntBuffer ny, IntBuffer nz) Get the DPME parameters in context.MultipoleForce.getElectrostaticPotential
(Context context, DoubleArray points) Get the electrostatic potential at specified points.void
HippoNonbondedForce.getInducedDipoles
(Context context, com.sun.jna.ptr.PointerByReference dipoles) Get the induced dipoles.void
MultipoleForce.getInducedDipoles
(Context context, DoubleArray inducedDipoles) Get the induced dipoles.void
HippoNonbondedForce.getLabFramePermanentDipoles
(Context context, com.sun.jna.ptr.PointerByReference dipoles) Get the lab frame permanent dipoles.void
MultipoleForce.getLabFramePermanentDipoles
(Context context, DoubleArray dipoles) Get the lab frame permanent dipoles.void
HippoNonbondedForce.getPMEParametersInContext
(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the PME parameters in context.void
HippoNonbondedForce.getPMEParametersInContext
(Context context, DoubleBuffer alpha, IntBuffer nx, IntBuffer ny, IntBuffer nz) Get the PME parameters in context.void
MultipoleForce.getPMEParametersInContext
(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the PME parameters in the context.void
MultipoleForce.getSystemMultipoleMoments
(Context context, DoubleArray moments) Get the system multipole moments.void
MultipoleForce.getTotalDipoles
(Context context, DoubleArray dipoles) Get the total dipoles.void
GeneralizedKirkwoodForce.updateParametersInContext
(Context context) Update the parameters in the context.void
GKCavitationForce.updateParametersInContext
(Context context) Update the parameters in the context.void
HippoNonbondedForce.updateParametersInContext
(Context context) Update the parameters in a Context to match those stored in this Force object.void
MultipoleForce.updateParametersInContext
(Context context) Update the parameters in the context.void
VdwForce.updateParametersInContext
(Context context) Update the per-particle parameters in a Context to match those stored in this Force object.void
WcaDispersionForce.updateParametersInContext
(Context context) Update the per-particle parameters in a Context to match those stored in this Force object. -
Uses of Context in ffx.openmm.drude
Methods in ffx.openmm.drude with parameters of type ContextModifier and TypeMethodDescriptionvoid
DrudeForce.updateParametersInContext
(Context context) Update the particle and screened pair parameters in a Context to match those stored in this Force object. -
Uses of Context in ffx.potential.openmm
Subclasses of Context in ffx.potential.openmm