gmx::SelectionCollection::Impl Class Reference

#include <gromacs/selection/selectioncollection_impl.h>

Collaboration diagram for gmx::SelectionCollection::Impl:

Description

Private implemention class for SelectionCollection.

Public Types
enum	DebugLevel : int {   DebugLevel::None, DebugLevel::Basic, DebugLevel::Compiled, DebugLevel::Evaluated,   DebugLevel::Full, DebugLevel::Count }
	Describes the available debugging levels. More...

Public Member Functions
	Impl ()
	Creates a new selection collection. More...
void	clearSymbolTable ()
	Clears the symbol table of the selection collection. More...
void	resolveExternalGroups (const gmx::SelectionTreeElementPointer &root, ExceptionInitializer *errors)
	Replace group references by group contents. More...
bool	areForcesRequested () const
	Whether forces have been requested for some selection.

Static Public Member Functions
static SelectionTopologyProperties	requiredTopologyPropertiesForPositionType (const std::string &post, bool forces)
	Returns topology properties needed for a certain position type.

Public Attributes
gmx_ana_selcollection_t	sc_
	Internal data, used for interfacing with old C code.
std::string	rpost_
	Default reference position type for selections.
std::string	spost_
	Default output position type for selections.
gmx_ana_index_t	requiredAtoms_
	Atoms needed for evaluating the selections.
DebugLevel	debugLevel_
	Debugging level for the collection.
bool	bExternalGroupsSet_
	Whether setIndexGroups() has been called.
gmx_ana_indexgrps_t *	grps_
	External index groups (can be NULL).

Member Enumeration Documentation

enum gmx::SelectionCollection::Impl::DebugLevel : int

strong

Describes the available debugging levels.

Enumerator
None	No debugging.
Basic	Print selection trees after parsing and compilation.
Compiled	As PrintCompiled, also print intermediate compilation trees.
Evaluated	As PrintCompiled, also print the tree after evaluation.
Full	Combine Compiled and Evaluated.
Count	Ends the enumeration.

Constructor & Destructor Documentation

gmx::SelectionCollection::Impl::Impl

(

)

Creates a new selection collection.

Exceptions

std::bad_alloc

if out of memory.

Member Function Documentation

void gmx::SelectionCollection::Impl::clearSymbolTable

(

)

Clears the symbol table of the selection collection.

Does not throw.

void gmx::SelectionCollection::Impl::resolveExternalGroups	(	const gmx::SelectionTreeElementPointer &	root,
		ExceptionInitializer *	errors
	)

Replace group references by group contents.

Parameters

[in]	root	Root of selection tree to process.
	errors	Object for reporting any error messages.

Exceptions

std::bad_alloc

if out of memory.

Recursively searches the selection tree for unresolved external references. If one is found, finds the referenced group in grps_ and replaces the reference with a constant element that contains the atoms from the referenced group. Any failures to resolve references are reported to errors.

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The documentation for this class was generated from the following files:

• src/gromacs/selection/selectioncollection_impl.h
• src/gromacs/selection/selectioncollection.cpp