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Gromacs
2024.3
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Gromacs
2024.3
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#include <gromacs/options/basicoptions.h>
Inheritance diagram for gmx::DoubleOption: Collaboration diagram for gmx::DoubleOption:Specifies an option that provides floating-point (double) values.
Public methods in this class do not throw.
Public Types | |
| typedef DoubleOptionInfo | InfoType |
| OptionInfo subclass corresponding to this option type. | |
| Public Types inherited from gmx::OptionTemplate< double, DoubleOption > | |
| typedef double | ValueType |
| Type that stores a single option value. | |
| typedef DoubleOption | MyClass |
| Alias for the derived class type. | |
Public Member Functions | |
| DoubleOption (const char *name) | |
| Initializes an option with the given name. | |
| MyClass & | vector () |
| Sets the option to return a vector value. More... | |
| MyClass & | timeValue () |
| Marks this option as providing a time value whose unit can be changed. More... | |
| Public Member Functions inherited from gmx::OptionTemplate< double, DoubleOption > | |
| MyClass & | description (const char *descr) |
| Sets a description for the option. More... | |
| MyClass & | hidden (bool bHidden=true) |
| Hides the option from normal help output. | |
| MyClass & | required (bool bRequired=true) |
| Requires the option to be specified explicitly. More... | |
| MyClass & | allowMultiple (bool bMulti=true) |
| Allows the option to be specified multiple times. | |
| MyClass & | valueCount (int count) |
Requires exactly count values for the option. | |
| MyClass & | multiValue (bool bMulti=true) |
| Allows any number of values for the option. | |
| MyClass & | defaultValue (const double &defaultValue) |
| Sets a default value for the option. More... | |
| MyClass & | defaultValueIfSet (const double &defaultValue) |
| Sets a default value for the option when it is set. More... | |
| MyClass & | store (double *store) |
Stores value(s) in memory pointed by store. More... | |
| MyClass & | storeCount (int *countptr) |
Stores number of values in the value pointed by countptr. More... | |
| MyClass & | storeVector (std::vector< double > *store) |
| Stores option values in the provided vector. More... | |
| MyClass & | storeIsSet (bool *store) |
| Stores whether the option was explicitly set. More... | |
Friends | |
| class | DoubleOptionStorage |
| Needed to initialize DoubleOptionStorage from this class without otherwise unnecessary accessors. | |
Additional Inherited Members | |
| Protected Types inherited from gmx::OptionTemplate< double, DoubleOption > | |
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typedef OptionTemplate< double, DoubleOption > | MyBase |
| Alias for the template class for use in base classes. | |
| Protected Member Functions inherited from gmx::OptionTemplate< double, DoubleOption > | |
| const double * | defaultValue () const |
| Returns a pointer to user-specified default value, or NULL if there is none. | |
| const double * | defaultValueIfSet () const |
| Returns a pointer to user-specified default value, or NULL if there is none. | |
| double * | store () const |
| Returns a pointer to the storage location, or NULL if none specified. | |
| std::vector< double > * | storeVector () const |
| Returns a pointer to the storage vector, or NULL if none specified. | |
| OptionTemplate (const char *name) | |
| Initializes the name and default values for an option. | |
| MyClass & | me () |
Returns *this casted into MyClass to reduce typing. | |
| Protected Member Functions inherited from gmx::AbstractOption | |
| AbstractOption (const char *name) | |
| Initializes the name and default values for an option. | |
| void | setDescription (const char *descr) |
| Sets the description for the option. | |
| void | setStoreIsSet (bool *store) |
| Sets the storage location for whether the option is set. | |
| void | setFlag (OptionFlag flag) |
| Sets a flag for the option. | |
| void | clearFlag (OptionFlag flag) |
| Clears a flag for the option. | |
| void | setFlag (OptionFlag flag, bool bSet) |
| Sets or clears a flag for the option. | |
| bool | isVector () const |
| Returns true if the option is vector-valued. | |
| void | setVector () |
| Sets the option to be vector-valued. More... | |
| void | setValueCount (int count) |
| Sets the required number of values for the option. | |
| Protected Attributes inherited from gmx::AbstractOption | |
| int | minValueCount_ |
| Minimum number of values required for the option. | |
| int | maxValueCount_ |
| Maximum number of values allowed for the option. | |
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inline |
Marks this option as providing a time value whose unit can be changed.
By itself, this option does nothing. It marks the option as a time value such that TimeUnitManager::scaleTimeOptions() can process it. In typical cases, GROMACS scales the time options just before Options::finish() has been called, so the option value is only available after all option values have been processed. All values in the program are in ps (including any default value); user-provided values are scaled according to the time unit set in TimeUnitManager.
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inline |
Sets the option to return a vector value.
A vector value returns a fixed number of values, the default being three (can be changed with valueCount()). However, it also accepts a single value, in which case the value is used to fill the whole vector.
1.8.5