gmx::SelectionCollection::Impl Class Reference

#include <gromacs/selection/selectioncollection-impl.h>

Collaboration diagram for gmx::SelectionCollection::Impl:

Description

Private implemention class for SelectionCollection.

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.
SelectionTopologyProperties	requiredTopologyPropertiesForPositionType (const std::string &post, bool forces) const
	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.
int	debugLevel_
	Debugging level for the collection. More...
bool	bExternalGroupsSet_
	Whether setIndexGroups() has been called.
gmx_ana_indexgrps_t *	grps_
	External index groups (can be NULL).

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.

Member Data Documentation

int gmx::SelectionCollection::Impl::debugLevel_

Debugging level for the collection.

Possible values:

• 0: no debugging
• 1: print selection trees after parsing and compilation
• 2: like 1, also print intermediate compilation trees
• 3: like 1, also print the tree after evaluation
• 4: combine 2 and 3

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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