gmx::FmmMdpOptions Class Reference

#include <gromacs/fmm/fmm_mdpoptions.h>

Inherits gmx::IMdpOptionProvider.

Description

MDP option provider that manages all FMM backends.

Unlike IFmmOptions, which encapsulates backend-specific logic, this class centralizes MDP declaration, transformation, and output, and delegates to the currently active backend (e.g., ExaFMM, FMSolvr). Designed to support multiple FMM implementations in a unified way.

Public Member Functions
	FmmMdpOptions ()
	Constructs the FMM MDP options provider.
void	initMdpOptions (IOptionsContainerWithSections *options) override
	Declares FMM options in the MDP system.
void	initMdpTransform (IKeyValueTreeTransformRules *rules) override
	Registers MDP transformation rules for FMM options.
void	buildMdpOutput (KeyValueTreeObjectBuilder *builder) const override
	Adds FMM options to the MDP output.
ActiveFmmBackend	activeFmmBackend () const
	Returns the currently selected FMM backend based on MDP options. More...
const ExaFmmOptions &	exaFmmOptions () const
	Returns the ExaFMM options if ExaFMM is the active backend. More...
const FMSolvrOptions &	fmSolvrOptions () const
	Returns the FMSolvr options if FMSolvr is the active backend. More...
const IFmmOptions *	activeFmmOptions () const
	Returns FMM options for the active backend. More...
FmmDirectProvider	directProvider () const
	Returns who handles direct interactions for the active FMM backend. More...

Member Function Documentation

ActiveFmmBackend gmx::FmmMdpOptions::activeFmmBackend

(

)

const

Returns the currently selected FMM backend based on MDP options.

Returns ActiveFmmBackend::Inactive if no backend is enabled.

const IFmmOptions * gmx::FmmMdpOptions::activeFmmOptions

(

)

const

Returns FMM options for the active backend.

These represent the backend-specific part of the MDP options, exposed via the IFmmOptions interface.

Returns

Pointer to active backend's IFmmOptions, or nullptr if inactive.

FmmDirectProvider gmx::FmmMdpOptions::directProvider

(

)

const

Returns who handles direct interactions for the active FMM backend.

Indicates whether GROMACS or the FMM backend computes direct interactions.

const ExaFmmOptions & gmx::FmmMdpOptions::exaFmmOptions

(

)

const

Returns the ExaFMM options if ExaFMM is the active backend.

Returns

Reference to the ExaFmmOptions instance.

Exceptions

gmx::InternalError

if the active backend is not ExaFMM.

const FMSolvrOptions & gmx::FmmMdpOptions::fmSolvrOptions

(

)

const

Returns the FMSolvr options if FMSolvr is the active backend.

Returns

Reference to the FMSolvrOptions instance.

Exceptions

gmx::InternalError

if the active backend is not FMSolvr.

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The documentation for this class was generated from the following files:

• src/gromacs/fmm/fmm_mdpoptions.h
• src/gromacs/fmm/fmm_mdpoptions.cpp