Gromacs
2024.4
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Provides functionality for handling options.
Code that provides options does so using methods in gmx::IOptionsContainer and classes defined in basicoptions.h. Only these are needed if a class wants to provide a set of standard options (other modules can provide additional option types, such as gmx::SelectionOption). For each option, the caller provides an output variable that will receive the final value of the option once user input has been parsed. When adding options, it is possible to also provide descriptions for the options for use in generated help text.
Generic code that handles the user input does so by creating a gmx::Options instance and passing it (as gmx::IOptionsContainer) to the classes that add the actual options. It can then use a parser to set values to the options. Final values for the options can be inspected in the code that added the individual options, from the provided output variables.
The sequence charts below provides an overview of how the options work from usage perspective. They include two fictional modules, A and B, that provide options, and a main routine that manages these. The first chart shows a typical initialization sequence, where the main routine creates an options object, and calls an initOptions() method in each module that can provide options (the modules may also request their submodules to add their own options). Each module uses gmx::IOptionsContainer::addOption() to add the options they require, and specify output variables into which the options values are stored.
After all options have been specified, they can be parsed. A parser splits the input into option-value pairs (one option may have multiple values), and passes these into the gmx::Options object, which is responsible for converting them into the appropriate types and storing the values into the variables provided in the calls to gmx::IOptionsContainer::addOption().
After all options have been parsed (possibly using multiple different parsers), gmx::Options::finish() is called. This performs final validation of the options and may further adjust the values stored in the output variables (see documentation on individual option types on when this may happen).
Module Command Line Program Management (commandline) implements classes that assign option values from command line and produce help for programs that use the command line parser.
Classes | |
class | gmx::AbstractOptionSection |
Base class for specifying option section properties. More... | |
class | gmx::AbstractOptionSectionHandle |
Base class for handles to option sections. More... | |
class | gmx::OptionSection |
Declares a simple option section. More... | |
class | gmx::OptionSectionHandle |
Allows adding options to an OptionSection. More... | |
class | gmx::RepeatingOptionSection< T > |
Declares an option section that creates a structure for each instance. More... | |
class | gmx::RepeatingOptionSectionHandle< T > |
Allows adding options to an RepeatingOptionSection. More... | |
class | gmx::AbstractOption |
Abstract base class for specifying option properties. More... | |
class | gmx::OptionTemplate< T, U > |
Templated base class for constructing concrete option settings classes. More... | |
class | gmx::OptionInfo |
Gives information and allows modifications to an option after creation. More... | |
class | gmx::BooleanOption |
Specifies an option that provides boolean values. More... | |
class | gmx::IntegerOption |
Specifies an option that provides integer values. More... | |
class | gmx::Int64Option |
Specifies an option that provides 64-bit integer values. More... | |
class | gmx::DoubleOption |
Specifies an option that provides floating-point (double) values. More... | |
class | gmx::FloatOption |
Specifies an option that provides floating-point (float) values. More... | |
class | gmx::StringOption |
Specifies an option that provides string values. More... | |
class | gmx::EnumOption< EnumType > |
Specifies an option that accepts an EnumerationArray of string values and writes the selected index into an enum variable. More... | |
class | gmx::LegacyEnumOption< EnumType > |
Specifies an option that accepts enumerated string values and writes the selected index into an enum variable. More... | |
class | gmx::BooleanOptionInfo |
Wrapper class for accessing boolean option information. More... | |
class | gmx::IntegerOptionInfo |
Wrapper class for accessing integer option information. More... | |
class | gmx::Int64OptionInfo |
Wrapper class for accessing 64-bit integer option information. More... | |
class | gmx::DoubleOptionInfo |
Wrapper class for accessing floating-point option information. More... | |
class | gmx::FloatOptionInfo |
Wrapper class for accessing floating-point option information. More... | |
class | gmx::StringOptionInfo |
Wrapper class for accessing string option information. More... | |
class | gmx::EnumOptionInfo |
Wrapper class for accessing enum option information. More... | |
class | gmx::FileNameOption |
Specifies an option that provides file names. More... | |
class | gmx::FileNameOptionInfo |
Wrapper class for accessing file name option information. More... | |
class | gmx::IOptionsBehavior |
Interface to provide extension points for options parsing. More... | |
class | gmx::IOptionsContainer |
Interface for adding input options. More... | |
class | gmx::IOptionsContainerWithSections |
Interface for adding input options with sections. More... | |
class | gmx::IOptionManager |
Base class for option managers. More... | |
class | gmx::Options |
Collection of options. More... | |
class | gmx::TimeUnitManager |
Provides common functionality for time unit conversions. More... | |
class | gmx::TimeUnitBehavior |
Options behavior to add a time unit option. More... | |
Typedefs | |
typedef FloatOption | gmx::RealOption |
Typedef for either DoubleOption or FloatOption, depending on precision. More... | |
typedef FloatOptionInfo | gmx::RealOptionInfo |
Typedef for either DoubleOptionInfo or FloatOptionInfo, depending on precision. More... | |
Enumerations | |
enum | gmx::OptionFileType : int { Topology, RunInput, Trajectory, Energy, PDB, AtomIndex, Plot, GenericData, Csv, QMInput, Count } |
Purpose of file(s) provided through an option. | |
Directories | |
directory | options |
Extensible Handling of Options (options) | |
Files | |
file | abstractsection.h |
Declares base classes for declaring option sections. | |
file | isectionstorage.h |
Declares gmx::IOptionSectionStorage. | |
file | optionsection.h |
Declares gmx::OptionSection and gmx::OptionSectionInfo. | |
file | repeatingsection.h |
Declares gmx::RepeatingOptionSection and related classes. | |
file | valuestore.h |
Declares implementations for IOptionValueStore. | |
file | abstractoption.h |
Defines gmx::AbstractOption, gmx::OptionTemplate and gmx::OptionInfo. | |
file | basicoptions.h |
Declares option objects for basic option types. | |
file | filenameoption.h |
Declares gmx::FileNameOption and gmx::FileNameOptionInfo. | |
file | filenameoptionmanager.h |
Declares gmx::FileNameOptionManager. | |
file | ioptionsbehavior.h |
Declares gmx::IOptionsBehavior. | |
file | ioptionscontainer.h |
Declares gmx::IOptionsContainer. | |
file | ioptionscontainerwithsections.h |
Declares gmx::IOptionsContainerWithSections. | |
file | ivaluestore.h |
Declares gmx::IOptionValueStore. | |
file | optionfiletype.h |
Defines an enumeration type for specifying file types for options. | |
file | optionflags.h |
Defines flags used in option implementation. | |
file | options.h |
Declares gmx::Options. | |
file | timeunitmanager.h |
Declares gmx::TimeUnitManager. | |
Typedef for either DoubleOption or FloatOption, depending on precision.
Generally, new would be better using DoubleOption, but this is provided for cases where the output value needs to be of type real
for some reason.
Typedef for either DoubleOptionInfo or FloatOptionInfo, depending on precision.
Generally, new would be better using DoubleOption, but this is provided for cases where the output value needs to be of type real
for some reason.