Library API

Collaboration diagram for Library API:

Description

Classes and other symbols that are publicly accessible within the GROMACS library.

See Also

Public API

Classes
class	gmx::AbstractAnalysisData
	Abstract base class for all objects that provide data. More...
class	gmx::AbstractAnalysisArrayData
	Abstract base class for data objects that present in-memory data. More...
class	gmx::IAnalysisDataModule
	Interface for a module that gets notified whenever data is added. More...
class	gmx::AnalysisDataModuleSerial
	Convenience base class for serial analysis data modules. More...
class	gmx::AnalysisDataModuleParallel
	Convenience base class for parallel analysis data modules. More...
class	gmx::IOutputAdapter
	OutputAdapter class for handling trajectory file flag setting and processing. More...
class	gmx::ArrayRefWithPadding< typename >
	Interface to a C array of T (or part of a std container of T), that includes padding that is suitable for the kinds of SIMD operations GROMACS uses. More...
class	gmx::OptionTemplate< T, U >
	Templated base class for constructing concrete option settings classes. More...
class	gmx::IOptionManager
	Base class for option managers. More...
class	gmx::PrivateImplPointer< Impl >
	Helper class to manage a pointer to a private implementation class. More...
class	gmx::FlagsTemplate< FlagType >
	Template class for typesafe handling of combination of flags. More...

Files
file	abstractdata.h
	Declares gmx::AbstractAnalysisData.
file	datamodule.h
	Declares gmx::IAnalysisDataModule and related convenience classes.
file	cmdlineprogramcontext.h
	Declares gmx::CommandLineProgramContext.
file	ioutputadapter.h
	Declares gmx::IOutputAdapter interface for modifying coordinate file structures before writing them to disk.
file	outputadaptercontainer.h
	Declares gmx::OutputAdapterContainer, a storage object for multiple outputadapters derived from the IOutputadaper interface.
file	requirements.h
	Storage object for requirements to build coordinate file writer.
file	simulationsignal.h
	This file declares functions for inter-rank signalling by mdrun.
file	state.h
	This file contains the definition of the microstate of the simulated system.
file	abstractoption.h
	Defines gmx::AbstractOption, gmx::OptionTemplate and gmx::OptionInfo.
file	com.h
	Helper methods to place particle COM in boxes.
file	pbc_aiuc.h
	Structure and basic routines to handle periodic boundary conditions.
file	indexutil.h
	API for handling index files and index groups.
file	symtab.h
	Declares modern and legacy symbol table used to store strings of characters.
file	topologyinformation.h
	Declares gmx::TopologyInformation.
file	classhelpers.h
	Declares common utility classes and macros.
file	enumerationhelpers.h
	Defines helper types for class enumerations.
file	flags.h
	Declares gmx::FlagsTemplate.
file	unique_cptr.h
	Declares gmx::unique_cptr and gmx::sfree_guard.