gmx::ArrayRef< ValueType > | |
gmx::ConstArrayRef< AnalysisDataValue > | |
gmx::ConstArrayRef< const char * > | |
gmx::ConstArrayRef< real > | |
gmx::FlagsTemplate< Flag > | |
gmx::FlagsTemplate< OptionFlag > | |
gmx::AbstractAnalysisData | Abstract base class for all objects that provide data |
gmx::AbstractAnalysisArrayData | Abstract base class for data objects that present in-memory data |
gmx::AbstractAverageHistogram | Base class for representing histograms averaged over frames |
gmx::AnalysisArrayData | Simple in-memory data array |
gmx::AnalysisDataAverageModule | Data module for independently averaging each column in input data |
gmx::AnalysisDataBinAverageModule | Data module for bin averages |
gmx::AnalysisDataLifetimeModule | Data module for computing lifetime histograms for columns in input data |
gmx::AnalysisData | Parallelizable data container for raw data |
gmx::AnalysisDataDisplacementModule | Data module for calculating displacements |
gmx::AnalysisDataFrameAverageModule | Data module for averaging of columns for each frame |
gmx::AnalysisDataSimpleHistogramModule | Data module for per-frame histograms |
gmx::AnalysisDataWeightedHistogramModule | Data module for per-frame weighted histograms |
gmx::AbstractOption | Abstract base class for specifying option properties |
gmx::OptionTemplate< T, U > | Templated base class for constructing concrete option settings classes |
gmx::SelectionFileOption | Specifies a special option that provides selections from a file |
gmx::OptionTemplate< bool, BooleanOption > | |
gmx::BooleanOption | Specifies an option that provides boolean values |
gmx::OptionTemplate< double, DoubleOption > | |
gmx::DoubleOption | Specifies an option that provides floating-point (double) values |
gmx::OptionTemplate< float, FloatOption > | |
gmx::FloatOption | Specifies an option that provides floating-point (float) values |
gmx::OptionTemplate< gmx_int64_t, Int64Option > | |
gmx::Int64Option | Specifies an option that provides 64-bit integer values |
gmx::OptionTemplate< int, IntegerOption > | |
gmx::IntegerOption | Specifies an option that provides integer values |
gmx::OptionTemplate< Selection, SelectionOption > | |
gmx::SelectionOption | Specifies an option that provides selection(s) |
gmx::OptionTemplate< std::string, FileNameOption > | |
gmx::FileNameOption | Specifies an option that provides file names |
gmx::OptionTemplate< std::string, StringOption > | |
gmx::StringOption | Specifies an option that provides string values |
gmx::AbstractOptionStorage | Abstract base class for converting, validating, and storing option values |
gmx::OptionStorageTemplate< T > | Templated base class for constructing option value storage classes |
gmx::OptionStorageTemplate< bool > | |
gmx::OptionStorageTemplate< double > | |
gmx::OptionStorageTemplate< float > | |
gmx::OptionStorageTemplate< gmx_int64_t > | |
gmx::OptionStorageTemplate< int > | |
gmx::OptionStorageTemplate< Selection > | |
gmx::OptionStorageTemplate< std::string > | |
gmx::AnalysisDataFrameHeader | Value type for storing frame-level information for analysis data |
gmx::AnalysisDataFrameRef | Value type wrapper for non-mutable access to a data frame |
gmx::AnalysisDataHandle | Handle for inserting data into AnalysisData |
gmx::AnalysisDataModuleInterface | Interface for a module that gets notified whenever data is added |
gmx::AnalysisDataModuleParallel | Convenience base class for parallel analysis data modules |
gmx::AnalysisDataSimpleHistogramModule | Data module for per-frame histograms |
gmx::AnalysisDataWeightedHistogramModule | Data module for per-frame weighted histograms |
gmx::AnalysisDataModuleSerial | Convenience base class for serial analysis data modules |
gmx::AbstractPlotModule | Abstract data module for writing data into a file |
gmx::AnalysisDataPlotModule | Plotting module for straightforward plotting of data |
gmx::AnalysisDataVectorPlotModule | Plotting module specifically for data consisting of vectors |
gmx::AnalysisDataAverageModule | Data module for independently averaging each column in input data |
gmx::AnalysisDataBinAverageModule | Data module for bin averages |
gmx::AnalysisDataDisplacementModule | Data module for calculating displacements |
gmx::AnalysisDataFrameAverageModule | Data module for averaging of columns for each frame |
gmx::AnalysisDataLifetimeModule | Data module for computing lifetime histograms for columns in input data |
gmx::AnalysisDataModuleManager | Encapsulates handling of data modules attached to AbstractAnalysisData |
gmx::AnalysisDataParallelOptions | Parallelization options for analysis data objects |
gmx::AnalysisDataPlotSettings | Common settings for data plots |
gmx::AnalysisDataPointSetRef | Value type wrapper for non-mutable access to a set of data column values |
gmx::AnalysisDataStorage | Helper class that implements storage of data |
gmx::AnalysisDataStorageFrame | Allows assigning values for a data frame in AnalysisDataStorage |
gmx::AnalysisDataValue | Value type for representing a single value in analysis data objects |
gmx::AnalysisHistogramSettings | Contains parameters that specify histogram bin locations |
gmx::AnalysisHistogramSettingsInitializer | Provides "named parameter" idiom for constructing histograms |
gmx::AnalysisNeighborhood | Neighborhood searching for analysis tools |
gmx::AnalysisNeighborhoodPair | Value type to represent a pair of positions found in neighborhood searching |
gmx::AnalysisNeighborhoodPairSearch | Initialized neighborhood pair search with a fixed set of positions |
gmx::AnalysisNeighborhoodPositions | Input positions for neighborhood searching |
gmx::AnalysisNeighborhoodSearch | Initialized neighborhood search with a fixed set of reference positions |
gmx::ArrayRef< T > | STL-like container for an interface to a C array (or part of a std::vector) |
gmx::BasicVector< ValueType > | C++ class for 3D vectors |
gmx::BinaryInformationSettings | Settings for printBinaryInformation() |
gmx::CommandLineHelpContext | Context information for writing out command-line help |
gmx::CommandLineHelpWriter | Writes help information for Options in ascii format |
gmx::CommandLineModuleGroup | Handle to add content to a group added with CommandLineModuleManager::addModuleGroup() |
gmx::CommandLineModuleInterface | Module that can be run from command line using CommandLineModuleManager |
gmx::CommandLineModuleManager | Implements a wrapper command-line interface for multiple modules |
gmx::CommandLineModuleSettings | Settings to pass information between a module and the general runner |
gmx::CommandLineOptionsModuleInterface | Module that can be run from a command line and uses gmx::Options for argument processing |
gmx::CommandLineParser | Implements command-line parsing for Options objects |
gmx::ConstArrayRef< T > | STL-like container for non-mutable interface to a C array (or part of a std::vector) |
gmx::DataFileFinder | Searches data files from a set of paths |
gmx::DataFileInfo | Information about a data file found by DataFileFinder::enumerateFiles() |
gmx::DataFileOptions | Search parameters for DataFileFinder |
gmx::DirectoryEnumerator | Lists files in a directory |
gmx::EmptyArrayRef | Tag type to initialize empty array references |
gmx::ExceptionInitializer | Provides information for Gromacs exception constructors |
gmx::ExecutableEnvironmentInterface | Allows customization of the way various directories are found by CommandLineProgramContext |
gmx::File | Basic file object |
gmx::FileInitializer | Parameters for creating a File object |
gmx::FileInputRedirectorInterface | Allows overriding file existence checks from code that supports it |
gmx::test::TestFileInputRedirector | In-memory implementation for FileInputRedirectorInterface for tests |
gmx::FileOutputRedirectorInterface | Allows capturing stdout and file output from code that supports it |
gmx::FlagsTemplate< FlagType > | Template class for typesafe handling of combination of flags |
gmx::GlobalCommandLineHelpContext | Helper for passing CommandLineHelpContext into parse_common_args() |
gmx::gmx_unique_ptr< T > | Smart pointer for unique ownership |
gmx::HelpLinks | Hyperlink data for writing out help |
gmx::HelpManager | Helper for providing interactive online help |
gmx::HelpTopicInterface | Provides a single online help topic |
gmx::AbstractCompositeHelpTopic | Abstract base class for help topics that have simple text and subtopics |
gmx::CompositeHelpTopic< HelpText > | Template for simple implementation of AbstractCompositeHelpTopic |
gmx::AbstractSimpleHelpTopic | Abstract base class for help topics that have simple text and no subtopics |
gmx::SimpleHelpTopic< HelpText > | Template for simple implementation of AbstractSimpleHelpTopic |
gmx::HelpWriterContext | Context information for writing out help |
gmx::IdentityFormatter | Function object to implement the same interface as StringFormatter to use with strings that should not be formatted further |
gmx::InstallationPrefixInfo | Provides information about installation prefix (see ProgramContextInterface::installationPrefix()) |
gmx::MessageStringCollector | Helper class for collecting message strings, optionally with context |
gmx::MessageStringContext | Convenience class for creating a message context |
gmx::OptionInfo | Gives information and allows modifications to an option after creation |
gmx::BooleanOptionInfo | Wrapper class for accessing boolean option information |
gmx::DoubleOptionInfo | Wrapper class for accessing floating-point option information |
gmx::FileNameOptionInfo | Wrapper class for accessing file name option information |
gmx::FloatOptionInfo | Wrapper class for accessing floating-point option information |
gmx::Int64OptionInfo | Wrapper class for accessing 64-bit integer option information |
gmx::IntegerOptionInfo | Wrapper class for accessing integer option information |
gmx::SelectionFileOptionInfo | Wrapper class for accessing and modifying selection file option information |
gmx::SelectionOptionInfo | Wrapper class for accessing and modifying selection option information |
gmx::StringOptionInfo | Wrapper class for accessing string option information |
gmx::OptionManagerContainer | Container to keep managers added with Options::addManager() and pass them to options |
gmx::OptionManagerInterface | Base class for option managers |
gmx::FileNameOptionManager | Handles interaction of file name options with global options |
gmx::SelectionOptionManager | Handles interaction of selection options with other options and user input |
gmx::Options | Collection of options |
gmx::OptionsAssigner | Decorator class for assigning values to Options |
gmx::OptionsIterator | Decorator class for visiting options in a Options object |
gmx::OptionsModifyingIterator | Decorator class for visiting options in a Options object, allowing changes |
gmx::OptionsModifyingVisitor | Pure interface for visiting options in a Options object, allowing modifications |
gmx::OptionsModifyingTypeVisitor< InfoType > | Abstract base class for visiting options of a particular type, allowing modifications |
gmx::OptionsVisitor | Pure interface for visiting options in a Options object |
gmx::OptionsTypeVisitor< InfoType > | Abstract base class for visiting options of a particular type |
gmx::PrivateImplPointer< Impl > | Helper class to manage a pointer to a private implementation class |
gmx::ProgramContextInterface | Provides context information about the program that is calling the library |
gmx::CommandLineProgramContext | Program context implementation for command line programs |
gmx::Regex | Represents a regular expression |
gmx::scoped_cptr< T, D > | Stripped-down version of scoped_ptr that uses sfree() or custom deleter |
gmx::Selection | Provides access to a single selection |
gmx::SelectionCollection | Collection of selections |
gmx::SelectionPosition | Provides access to information about a single selected position |
gmx::StringFormatter | Function object that wraps a call to formatString() that expects a single conversion argument, for use with algorithms |
gmx::test::AnalysisDataTestFixture | Test fixture for AbstractAnalysisData testing |
gmx::test::AnalysisDataTestInput | Represents static input data for AbstractAnalysisData tests |
gmx::test::AnalysisDataTestInputFrame | Represents a single frame in AnalysisDataTestInput structure |
gmx::test::AnalysisDataTestInputPointSet | Represents a single set of points in AnalysisDataTestInputFrame structure |
gmx::test::CommandLine | Helper class for tests that need to construct command lines |
gmx::test::CommandLineTestBase | Test fixture for tests that call a single command-line program with input/output files |
gmx::test::CommandLineTestHelper | Helper class for tests that construct command lines that need to reference existing files |
gmx::test::FloatingPointDifference | Computes and represents a floating-point difference value |
gmx::test::FloatingPointTolerance | Specifies a floating-point comparison tolerance and checks whether a difference is within the tolerance |
gmx::test::IntegrationTestFixture | Test fixture for integration tests |
gmx::test::MdrunTestFixture | Declares test fixture class for integration tests of mdrun functionality that use a single call of mdrun |
gmx::test::ParameterizedMdrunTestFixture | Parameterized test fixture for mdrun integration tests |
gmx::test::MdrunTestFixtureBase | Declares test fixture base class for integration tests of mdrun functionality |
gmx::test::SimulationRunner | Helper object for running grompp and mdrun in integration tests of mdrun functionality |
gmx::test::StringTestBase | Test fixture for tests that check string formatting |
gmx::test::TestFileManager | Helper for tests that need input and output files |
gmx::test::TestOptionsProvider | Provides additional options for the test executable |
gmx::test::TestReferenceChecker | Handles comparison to test reference data |
gmx::test::TestReferenceData | Handles creation of and comparison to test reference data |
gmx::TextLineWrapper | Wraps lines to a predefined length |
gmx::TextLineWrapperSettings | Stores settings for line wrapping |
gmx::TextTableFormatter | Formats rows of a table for text output |
gmx::TimeUnitManager | Provides common functionality for time unit conversions |
gmx::TopologyInformation | Topology information passed to a trajectory analysis module |
gmx::TrajectoryAnalysisCommandLineRunner | Runner class for command-line analysis tools |
gmx::TrajectoryAnalysisModule | Base class for trajectory analysis modules |
gmx::TrajectoryAnalysisModuleData | Base class for thread-local data storage during trajectory analysis |
gmx::TrajectoryAnalysisSettings | Trajectory analysis module configuration object |
gmx_ana_index_t | Stores a single index group |
gmx_ana_indexmap_t | Data structure for calculating index group mappings |
gmx_ana_pos_t | Stores a set of positions together with their origins |
gmx_simd_dbool_t | Boolean type for double precision SIMD data |
gmx_simd_dibool_t | Boolean type for integer datatypes corresponding to double SIMD |
gmx_simd_dint32_t | Integer SIMD variable type to use for conversions to/from double |
gmx_simd_double_t | Floating-point SIMD variable type in double precision |
gmx_simd_fbool_t | Boolean type for float SIMD data |
gmx_simd_fibool_t | Boolean type for integer datatypes corresponding to float SIMD |
gmx_simd_fint32_t | Integer SIMD variable type to use for conversions to/from float |
gmx_simd_float_t | Float SIMD variable. Supported with GMX_SIMD_HAVE_FLOAT |
gmx_sparsematrix | Sparse matrix storage format |
gmx::gmx_unique_ptr< AnalysisDataStorageFrame > | |
gmx::gmx_unique_ptr< CommandLine > | |
gmx::gmx_unique_ptr< SelectionParserValueList > | |
gmx::scoped_cptr< struct warninp, free_warning > | |
gmx::scoped_cptr< t_inpfile > | |
std::exception | STL class |
gmx::GromacsException | Base class for all exception objects in Gromacs |
gmx::APIError | Exception class for incorrect use of an API |
gmx::NotImplementedError | Exception class for use of an unimplemented feature |
gmx::FileIOError | Exception class for file I/O errors |
gmx::InternalError | Exception class for internal errors |
gmx::SimulationInstabilityError | Exception class for simulation instabilities |
gmx::test::TestException | Exception class for reporting errors in tests |
gmx::UserInputError | Exception class for user input errors |
gmx::InconsistentInputError | Exception class for situations where user input is inconsistent |
gmx::InvalidInputError | Exception class for situations where user input cannot be parsed/understood |
t_pargs | Command-line argument definition for C code |