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::ProcessFrameConversion
	ProcessFrameConversion class for handling the running of several analysis steps. More...
class	gmx::IFrameConverter
	IFrameConverter interface for manipulating coordinate information. 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::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::OptionTemplate< T, U >
	Templated base class for constructing concrete option settings classes. More...
class	gmx::IOptionManager
	Base class for option managers. More...
class	gmx::FlagsTemplate< FlagType >
	Template class for typesafe handling of combination of flags. More...

Files
file	cmdlineprogramcontext.h
	Declares gmx::CommandLineProgramContext.
file	register.h
	Declares gmx::ProcessFrameConversion.
file	iframeconverter.h
	Interface class for frame handling, provides handles for all calls.
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	com.h
	Helper methods to place particle COM in boxes.
file	pbc_aiuc.h
	Structure and basic routines to handle periodic boundary conditions.
file	stringtoenumvalueconverter.h
	Defines helper function object for class enumerations.
file	abstractdata.h
	Declares gmx::AbstractAnalysisData.
file	datamodule.h
	Declares gmx::IAnalysisDataModule and related convenience classes.
file	abstractoption.h
	Defines gmx::AbstractOption, gmx::OptionTemplate and gmx::OptionInfo.
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.