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Library API
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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.