Gromacs  2024.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Classes | Typedefs | Enumerations | Directories | Files
Extensible Handling of Options (options)
+ Collaboration diagram for Extensible Handling of Options (options):

Description

Provides functionality for handling options.

Basic Use

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.

msc_inline_mscgraph_7

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().

msc_inline_mscgraph_8

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).

msc_inline_mscgraph_9

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.

Author
Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

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 Documentation

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.