Public Member Functions
	SelectionManager (SimInfo *info)

void	addSelection (StuntDouble *sd)

void	addSelection (Bond *b)

void	addSelection (Bend *b)

void	addSelection (Torsion *t)

void	addSelection (Inversion *i)

void	addSelection (Molecule *m)

void	addSelectionSet (const SelectionSet &bs)

void	addBondSelectionSet (const SelectionSet &bs)

void	addBendSelectionSet (const SelectionSet &bs)

void	addTorsionSelectionSet (const SelectionSet &bs)

void	addInversionSelectionSet (const SelectionSet &bs)

void	addMoleculeSelectionSet (const SelectionSet &bs)

bool	isEmpty ()

void	setSelectionSet (const SelectionSet &bs)

void	setBondSelectionSet (const SelectionSet &bs)

void	setBendSelectionSet (const SelectionSet &bs)

void	setTorsionSelectionSet (const SelectionSet &bs)

void	setInversionSelectionSet (const SelectionSet &bs)

void	setMoleculeSelectionSet (const SelectionSet &bs)

std::vector< int >	getSelectionCounts ()

int	getSelectionCount ()

int	getBondSelectionCount ()

int	getBendSelectionCount ()

int	getTorsionSelectionCount ()

int	getInversionSelectionCount ()

int	getMoleculeSelectionCount ()

SelectionSet	getSelectionSet ()

void	setSelection (StuntDouble *sd)

void	setSelection (Bond *b)

void	setSelection (Bend *b)

void	setSelection (Torsion *t)

void	setSelection (Inversion *i)

void	setSelection (Molecule *m)

void	toggleSelection (StuntDouble *sd)

void	toggleSelection (Bond *b)

void	toggleSelection (Bend *b)

void	toggleSelection (Torsion *t)

void	toggleSelection (Inversion *i)

void	toggleSelection (Molecule *m)

void	toggleSelection ()

void	selectAll ()

void	clearSelection ()

SelectionManager	replaceRigidBodiesWithAtoms () const

SelectionManager	removeAtomsInRigidBodies () const

void	clearSelection (StuntDouble *sd)

void	clearSelection (Bond *b)

void	clearSelection (Bend *b)

void	clearSelection (Torsion *t)

void	clearSelection (Inversion *i)

void	clearSelection (Molecule *m)

bool	isGlobalIDSelected (int globalIndex)

bool	isSelected (StuntDouble *sd)

bool	isSelected (Bond *b)

bool	isSelected (Bend *b)

bool	isSelected (Torsion *t)

bool	isSelected (Inversion *i)

bool	isSelected (Molecule *m)

StuntDouble *	beginSelected (int &i)
	Finds the first selected StuntDouble in the selection.

StuntDouble *	nextSelected (int &i)
	Finds the next selected StuntDouble in the selection.

StuntDouble *	beginUnselected (int &i)
	Finds the first unselected StuntDouble.

StuntDouble *	nextUnselected (int &i)
	Finds the next unselected StuntDouble.

Bond *	beginSelectedBond (int &i)
	Finds the first selected Bond in the selection.

Bond *	nextSelectedBond (int &i)
	Finds the next selected Bond in the selection.

Bond *	beginUnselectedBond (int &i)
	Finds the first unselected Bond.

Bond *	nextUnselectedBond (int &i)
	Finds the next unselected Bond.

Bend *	beginSelectedBend (int &i)
	Finds the first selected Bend in the selection.

Bend *	nextSelectedBend (int &i)
	Finds the next selected Bend in the selection.

Bend *	beginUnselectedBend (int &i)
	Finds the first unselected Bend.

Bend *	nextUnselectedBend (int &i)
	Finds the next unselected Bend.

Torsion *	beginSelectedTorsion (int &i)
	Finds the first selected Torsion in the selection.

Torsion *	nextSelectedTorsion (int &i)
	Finds the next selected Torsion in the selection.

Torsion *	beginUnselectedTorsion (int &i)
	Finds the first unselected Torsion.

Torsion *	nextUnselectedTorsion (int &i)
	Finds the next unselected Torsion.

Inversion *	beginSelectedInversion (int &i)
	Finds the first selected Inversion in the selection.

Inversion *	nextSelectedInversion (int &i)
	Finds the next selected Inversion in the selection.

Inversion *	beginUnselectedInversion (int &i)
	Finds the first unselected Inversion.

Inversion *	nextUnselectedInversion (int &i)
	Finds the next unselected Inversion.

Molecule *	beginSelectedMolecule (int &i)
	Finds the first selected Molecule in the selection.

Molecule *	nextSelectedMolecule (int &i)
	Finds the next selected Molecule in the selection.

Molecule *	beginUnselectedMolecule (int &i)
	Finds the first unselected Molecule.

Molecule *	nextUnselectedMolecule (int &i)
	Finds the next unselected Molecule.

Molecule *	nthSelectedMolecule (int &n)
	Finds the n^th selected Molecule in the selection.

AtomTypeSet	getSelectedAtomTypes ()
	getSelectedAtomTypes

SelectionManager &	operator&= (const SelectionManager &sman)

SelectionManager &	operator\|= (const SelectionManager &sman)

SelectionManager &	operator^= (const SelectionManager &sman)

SelectionManager &	operator-= (const SelectionManager &sman)

Friends
SelectionManager	operator\| (const SelectionManager &sman1, const SelectionManager &sman2)

SelectionManager	operator& (const SelectionManager &sman1, const SelectionManager &sman2)

SelectionManager	operator^ (const SelectionManager &sman1, const SelectionManager &sman2)

SelectionManager	operator- (const SelectionManager &sman1, const SelectionManager &sman2)

Detailed Description

Definition at line 59 of file SelectionManager.hpp.

Constructor & Destructor Documentation

◆ SelectionManager()

OpenMD::SelectionManager::SelectionManager ( SimInfo * info )

Definition at line 54 of file SelectionManager.cpp.

Member Function Documentation

◆ addBendSelectionSet()

void OpenMD::SelectionManager::addBendSelectionSet ( const SelectionSet & bs )

inline

Definition at line 88 of file SelectionManager.hpp.

◆ addBondSelectionSet()

void OpenMD::SelectionManager::addBondSelectionSet ( const SelectionSet & bs )

inline

Definition at line 85 of file SelectionManager.hpp.

◆ addInversionSelectionSet()

void OpenMD::SelectionManager::addInversionSelectionSet ( const SelectionSet & bs )

inline

Definition at line 94 of file SelectionManager.hpp.

◆ addMoleculeSelectionSet()

void OpenMD::SelectionManager::addMoleculeSelectionSet ( const SelectionSet & bs )

inline

Definition at line 97 of file SelectionManager.hpp.

◆ addSelection() [1/6]

void OpenMD::SelectionManager::addSelection ( Bend * b )

inline

Definition at line 69 of file SelectionManager.hpp.

◆ addSelection() [2/6]

void OpenMD::SelectionManager::addSelection ( Bond * b )

inline

Definition at line 66 of file SelectionManager.hpp.

◆ addSelection() [3/6]

void OpenMD::SelectionManager::addSelection ( Inversion * i )

inline

Definition at line 75 of file SelectionManager.hpp.

◆ addSelection() [4/6]

void OpenMD::SelectionManager::addSelection ( Molecule * m )

inline

Definition at line 78 of file SelectionManager.hpp.

◆ addSelection() [5/6]

void OpenMD::SelectionManager::addSelection ( StuntDouble * sd )

inline

Definition at line 63 of file SelectionManager.hpp.

◆ addSelection() [6/6]

void OpenMD::SelectionManager::addSelection ( Torsion * t )

inline

Definition at line 72 of file SelectionManager.hpp.

◆ addSelectionSet()

void OpenMD::SelectionManager::addSelectionSet ( const SelectionSet & bs )

inline

Definition at line 82 of file SelectionManager.hpp.

◆ addTorsionSelectionSet()

void OpenMD::SelectionManager::addTorsionSelectionSet ( const SelectionSet & bs )

inline

Definition at line 91 of file SelectionManager.hpp.

◆ beginSelected()

StuntDouble * OpenMD::SelectionManager::beginSelected ( int & i )

Finds the first selected StuntDouble in the selection.

In parallel, this is the first selected StuntDouble that is the responsibility of the local processor, not the first StuntDouble in the global selection.

Returns: a pointer to the StuntDouble object, returns NULL if no StuntDouble was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 118 of file SelectionManager.cpp.

References OpenMD::STUNTDOUBLE.

Referenced by OpenMD::PotDiff::PotDiff(), and OpenMD::PotDiff::process().

◆ beginSelectedBend()

Bend * OpenMD::SelectionManager::beginSelectedBend ( int & i )

Finds the first selected Bend in the selection.

In parallel, this is the first selected Bend that is the responsibility of the local processor, not the first Bend in the global selection.

Returns: a pointer to the Bend object, returns NULL if no Bend was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 254 of file SelectionManager.cpp.

◆ beginSelectedBond()

Bond * OpenMD::SelectionManager::beginSelectedBond ( int & i )

Finds the first selected Bond in the selection.

In parallel, this is the first selected Bond that is the responsibility of the local processor, not the first Bond in the global selection.

Returns: a pointer to the Bond object, returns NULL if no Bond was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 186 of file SelectionManager.cpp.

◆ beginSelectedInversion()

Inversion * OpenMD::SelectionManager::beginSelectedInversion ( int & i )

Finds the first selected Inversion in the selection.

In parallel, this is the first selected Inversion that is the responsibility of the local processor, not the first Inversion in the global selection.

Returns: a pointer to the Inversion object, returns NULL if no Inversion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 390 of file SelectionManager.cpp.

◆ beginSelectedMolecule()

Molecule * OpenMD::SelectionManager::beginSelectedMolecule ( int & i )

Finds the first selected Molecule in the selection.

In parallel, this is the first selected Molecule that is the responsibility of the local processor, not the first Molecule in the global selection.

Returns: a pointer to the Molecule object, returns NULL if no Molecule was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 458 of file SelectionManager.cpp.

◆ beginSelectedTorsion()

Torsion * OpenMD::SelectionManager::beginSelectedTorsion ( int & i )

Finds the first selected Torsion in the selection.

In parallel, this is the first selected Torsion that is the responsibility of the local processor, not the first Torsion in the global selection.

Returns: a pointer to the Torsion object, returns NULL if no Torsion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 322 of file SelectionManager.cpp.

◆ beginUnselected()

StuntDouble * OpenMD::SelectionManager::beginUnselected ( int & i )

Finds the first unselected StuntDouble.

In parallel, this is the first unselected StuntDouble that is the responsibility of the local processor, not the first StuntDouble in the global unselected pool.

Returns: a pointer to the StuntDouble object, returns NULL if no StuntDouble was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 152 of file SelectionManager.cpp.

References OpenMD::STUNTDOUBLE.

◆ beginUnselectedBend()

Bend * OpenMD::SelectionManager::beginUnselectedBend ( int & i )

Finds the first unselected Bend.

In parallel, this is the first unselected Bend that is the responsibility of the local processor, not the first Bend in the global unselected pool.

Returns: a pointer to the Bend object, returns NULL if no Bend was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 288 of file SelectionManager.cpp.

◆ beginUnselectedBond()

Bond * OpenMD::SelectionManager::beginUnselectedBond ( int & i )

Finds the first unselected Bond.

In parallel, this is the first unselected Bond that is the responsibility of the local processor, not the first Bond in the global unselected pool.

Returns: a pointer to the Bond object, returns NULL if no Bond was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 220 of file SelectionManager.cpp.

◆ beginUnselectedInversion()

Inversion * OpenMD::SelectionManager::beginUnselectedInversion ( int & i )

Finds the first unselected Inversion.

In parallel, this is the first unselected Inversion that is the responsibility of the local processor, not the first Inversion in the global unselected pool.

Returns: a pointer to the Inversion object, returns NULL if no Inversion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 424 of file SelectionManager.cpp.

◆ beginUnselectedMolecule()

Molecule * OpenMD::SelectionManager::beginUnselectedMolecule ( int & i )

Finds the first unselected Molecule.

In parallel, this is the first unselected Molecule that is the responsibility of the local processor, not the first Molecule in the global unselected pool.

Returns: a pointer to the Molecule object, returns NULL if no Molecule was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 492 of file SelectionManager.cpp.

◆ beginUnselectedTorsion()

Torsion * OpenMD::SelectionManager::beginUnselectedTorsion ( int & i )

Finds the first unselected Torsion.

In parallel, this is the first unselected Torsion that is the responsibility of the local processor, not the first Torsion in the global unselected pool.

Returns: a pointer to the Torsion object, returns NULL if no Torsion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 356 of file SelectionManager.cpp.

◆ clearSelection() [1/7]

void OpenMD::SelectionManager::clearSelection ( )

inline

Definition at line 218 of file SelectionManager.hpp.

◆ clearSelection() [2/7]

void OpenMD::SelectionManager::clearSelection ( Bend * b )

inline

Definition at line 232 of file SelectionManager.hpp.

◆ clearSelection() [3/7]

void OpenMD::SelectionManager::clearSelection ( Bond * b )

inline

Definition at line 229 of file SelectionManager.hpp.

◆ clearSelection() [4/7]

void OpenMD::SelectionManager::clearSelection ( Inversion * i )

inline

Definition at line 238 of file SelectionManager.hpp.

◆ clearSelection() [5/7]

void OpenMD::SelectionManager::clearSelection ( Molecule * m )

inline

Definition at line 241 of file SelectionManager.hpp.

◆ clearSelection() [6/7]

void OpenMD::SelectionManager::clearSelection ( StuntDouble * sd )

inline

Definition at line 226 of file SelectionManager.hpp.

◆ clearSelection() [7/7]

void OpenMD::SelectionManager::clearSelection ( Torsion * t )

inline

Definition at line 235 of file SelectionManager.hpp.

◆ getBendSelectionCount()

int OpenMD::SelectionManager::getBendSelectionCount ( )

inline

Definition at line 141 of file SelectionManager.hpp.

◆ getBondSelectionCount()

int OpenMD::SelectionManager::getBondSelectionCount ( )

inline

Definition at line 140 of file SelectionManager.hpp.

◆ getInversionSelectionCount()

int OpenMD::SelectionManager::getInversionSelectionCount ( )

inline

Definition at line 143 of file SelectionManager.hpp.

◆ getMoleculeSelectionCount()

int OpenMD::SelectionManager::getMoleculeSelectionCount ( )

inline

Definition at line 146 of file SelectionManager.hpp.

◆ getSelectedAtomTypes()

AtomTypeSet OpenMD::SelectionManager::getSelectedAtomTypes ( )

getSelectedAtomTypes

Returns an STL set of AtomType* that are actually selected. Must query all processors to assemble this information.

Definition at line 547 of file SelectionManager.cpp.

References OpenMD::Atom::getAtomType(), OpenMD::ForceField::getAtomType(), and OpenMD::STUNTDOUBLE.

◆ getSelectionCount()

int OpenMD::SelectionManager::getSelectionCount ( )

inline

Definition at line 139 of file SelectionManager.hpp.

◆ getSelectionCounts()

std::vector< int > OpenMD::SelectionManager::getSelectionCounts ( )

inline

Definition at line 131 of file SelectionManager.hpp.

◆ getSelectionSet()

SelectionSet OpenMD::SelectionManager::getSelectionSet ( )

inline

Definition at line 149 of file SelectionManager.hpp.

◆ getTorsionSelectionCount()

int OpenMD::SelectionManager::getTorsionSelectionCount ( )

inline

Definition at line 142 of file SelectionManager.hpp.

◆ isEmpty()

bool OpenMD::SelectionManager::isEmpty ( )

inline

Definition at line 101 of file SelectionManager.hpp.

◆ isGlobalIDSelected()

bool OpenMD::SelectionManager::isGlobalIDSelected ( int globalIndex )

inline

Definition at line 245 of file SelectionManager.hpp.

◆ isSelected() [1/6]

bool OpenMD::SelectionManager::isSelected ( Bend * b )

inline

Definition at line 252 of file SelectionManager.hpp.

◆ isSelected() [2/6]

bool OpenMD::SelectionManager::isSelected ( Bond * b )

inline

Definition at line 251 of file SelectionManager.hpp.

◆ isSelected() [3/6]

bool OpenMD::SelectionManager::isSelected ( Inversion * i )

inline

Definition at line 256 of file SelectionManager.hpp.

◆ isSelected() [4/6]

bool OpenMD::SelectionManager::isSelected ( Molecule * m )

inline

Definition at line 259 of file SelectionManager.hpp.

◆ isSelected() [5/6]

bool OpenMD::SelectionManager::isSelected ( StuntDouble * sd )

inline

Definition at line 248 of file SelectionManager.hpp.

◆ isSelected() [6/6]

bool OpenMD::SelectionManager::isSelected ( Torsion * t )

inline

Definition at line 253 of file SelectionManager.hpp.

◆ nextSelected()

StuntDouble * OpenMD::SelectionManager::nextSelected ( int & i )

Finds the next selected StuntDouble in the selection.

In parallel, this is the next selected StuntDouble that is the responsibility of the local processor, not the next StuntDouble in the global selection.

Returns: a pointer to the StuntDouble object, returns NULL if no StuntDouble was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 135 of file SelectionManager.cpp.

References OpenMD::STUNTDOUBLE.

Referenced by OpenMD::PotDiff::PotDiff(), and OpenMD::PotDiff::process().

◆ nextSelectedBend()

Bend * OpenMD::SelectionManager::nextSelectedBend ( int & i )

Finds the next selected Bend in the selection.

In parallel, this is the next selected Bend that is the responsibility of the local processor, not the next Bend in the global selection.

Returns: a pointer to the Bend object, returns NULL if no Bend was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 271 of file SelectionManager.cpp.

◆ nextSelectedBond()

Bond * OpenMD::SelectionManager::nextSelectedBond ( int & i )

Finds the next selected Bond in the selection.

In parallel, this is the next selected Bond that is the responsibility of the local processor, not the next Bond in the global selection.

Returns: a pointer to the Bond object, returns NULL if no Bond was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 203 of file SelectionManager.cpp.

◆ nextSelectedInversion()

Inversion * OpenMD::SelectionManager::nextSelectedInversion ( int & i )

Finds the next selected Inversion in the selection.

In parallel, this is the next selected Inversion that is the responsibility of the local processor, not the next Inversion in the global selection.

Returns: a pointer to the Inversion object, returns NULL if no Inversion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 407 of file SelectionManager.cpp.

◆ nextSelectedMolecule()

Molecule * OpenMD::SelectionManager::nextSelectedMolecule ( int & i )

Finds the next selected Molecule in the selection.

In parallel, this is the next selected Molecule that is the responsibility of the local processor, not the next Molecule in the global selection.

Returns: a pointer to the Molecule object, returns NULL if no Molecule was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 475 of file SelectionManager.cpp.

◆ nextSelectedTorsion()

Torsion * OpenMD::SelectionManager::nextSelectedTorsion ( int & i )

Finds the next selected Torsion in the selection.

In parallel, this is the next selected Torsion that is the responsibility of the local processor, not the next Torsion in the global selection.

Returns: a pointer to the Torsion object, returns NULL if no Torsion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 339 of file SelectionManager.cpp.

◆ nextUnselected()

StuntDouble * OpenMD::SelectionManager::nextUnselected ( int & i )

Finds the next unselected StuntDouble.

In parallel, this is the next unselected StuntDouble that is the responsibility of the local processor, not the next StuntDouble in the global unselected pool.

Returns: a pointer to the StuntDouble object, returns NULL if no StuntDouble was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 169 of file SelectionManager.cpp.

References OpenMD::STUNTDOUBLE.

◆ nextUnselectedBend()

Bend * OpenMD::SelectionManager::nextUnselectedBend ( int & i )

Finds the next unselected Bend.

In parallel, this is the next unselected Bend that is the responsibility of the local processor, not the next Bend in the global unselected pool.

Returns: a pointer to the Bend object, returns NULL if no Bend was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 305 of file SelectionManager.cpp.

◆ nextUnselectedBond()

Bond * OpenMD::SelectionManager::nextUnselectedBond ( int & i )

Finds the next unselected Bond.

In parallel, this is the next unselected Bond that is the responsibility of the local processor, not the next Bond in the global unselected pool.

Returns: a pointer to the Bond object, returns NULL if no Bond was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 237 of file SelectionManager.cpp.

◆ nextUnselectedInversion()

Inversion * OpenMD::SelectionManager::nextUnselectedInversion ( int & i )

Finds the next unselected Inversion.

In parallel, this is the next unselected Inversion that is the responsibility of the local processor, not the next Inversion in the global unselected pool.

Returns: a pointer to the Inversion object, returns NULL if no Inversion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 441 of file SelectionManager.cpp.

◆ nextUnselectedMolecule()

Molecule * OpenMD::SelectionManager::nextUnselectedMolecule ( int & i )

Finds the next unselected Molecule.

In parallel, this is the next unselected Molecule that is the responsibility of the local processor, not the next Molecule in the global unselected pool.

Returns: a pointer to the Molecule object, returns NULL if no Molecule was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 509 of file SelectionManager.cpp.

◆ nextUnselectedTorsion()

Torsion * OpenMD::SelectionManager::nextUnselectedTorsion ( int & i )

Finds the next unselected Torsion.

In parallel, this is the next unselected Torsion that is the responsibility of the local processor, not the next Torsion in the global unselected pool.

Returns: a pointer to the Torsion object, returns NULL if no Torsion was found.

Parameters

i	iterator used to keep track of the selection

Definition at line 373 of file SelectionManager.cpp.

◆ nthSelectedMolecule()

Molecule * OpenMD::SelectionManager::nthSelectedMolecule ( int & n )

Finds the n^th selected Molecule in the selection.

In parallel, if this molecule is not the responsibility of the local processor, a NULL is returned.

Returns: a pointer to the Molecule object, returns NULL if no Molecule was found.

Parameters

n	which molecule in the selection set to find

Definition at line 526 of file SelectionManager.cpp.

◆ operator&=()

SelectionManager & OpenMD::SelectionManager::operator&= ( const SelectionManager & sman )

inline

Definition at line 494 of file SelectionManager.hpp.

◆ operator-=()

SelectionManager & OpenMD::SelectionManager::operator-= ( const SelectionManager & sman )

inline

Definition at line 512 of file SelectionManager.hpp.

◆ operator^=()

SelectionManager & OpenMD::SelectionManager::operator^= ( const SelectionManager & sman )

inline

Definition at line 506 of file SelectionManager.hpp.

◆ operator|=()

SelectionManager & OpenMD::SelectionManager::operator|= ( const SelectionManager & sman )

inline

Definition at line 500 of file SelectionManager.hpp.

◆ removeAtomsInRigidBodies()

SelectionManager OpenMD::SelectionManager::removeAtomsInRigidBodies ( ) const

Definition at line 654 of file SelectionManager.cpp.

◆ replaceRigidBodiesWithAtoms()

SelectionManager OpenMD::SelectionManager::replaceRigidBodiesWithAtoms ( ) const

Definition at line 621 of file SelectionManager.cpp.

◆ selectAll()

void OpenMD::SelectionManager::selectAll ( )

inline

Definition at line 213 of file SelectionManager.hpp.

◆ setBendSelectionSet()

void OpenMD::SelectionManager::setBendSelectionSet ( const SelectionSet & bs )

inline

Definition at line 118 of file SelectionManager.hpp.

◆ setBondSelectionSet()

void OpenMD::SelectionManager::setBondSelectionSet ( const SelectionSet & bs )

inline

Definition at line 115 of file SelectionManager.hpp.

◆ setInversionSelectionSet()

void OpenMD::SelectionManager::setInversionSelectionSet ( const SelectionSet & bs )

inline

Definition at line 124 of file SelectionManager.hpp.

◆ setMoleculeSelectionSet()

void OpenMD::SelectionManager::setMoleculeSelectionSet ( const SelectionSet & bs )

inline

Definition at line 127 of file SelectionManager.hpp.

◆ setSelection() [1/6]

void OpenMD::SelectionManager::setSelection ( Bend * b )

inline

Definition at line 172 of file SelectionManager.hpp.

◆ setSelection() [2/6]

void OpenMD::SelectionManager::setSelection ( Bond * b )

inline

Definition at line 168 of file SelectionManager.hpp.

◆ setSelection() [3/6]

void OpenMD::SelectionManager::setSelection ( Inversion * i )

inline

Definition at line 180 of file SelectionManager.hpp.

◆ setSelection() [4/6]

void OpenMD::SelectionManager::setSelection ( Molecule * m )

inline

Definition at line 184 of file SelectionManager.hpp.

◆ setSelection() [5/6]

void OpenMD::SelectionManager::setSelection ( StuntDouble * sd )

inline

Definition at line 164 of file SelectionManager.hpp.

◆ setSelection() [6/6]

void OpenMD::SelectionManager::setSelection ( Torsion * t )

inline

Definition at line 176 of file SelectionManager.hpp.

◆ setSelectionSet()

void OpenMD::SelectionManager::setSelectionSet ( const SelectionSet & bs )

inline

Definition at line 107 of file SelectionManager.hpp.

◆ setTorsionSelectionSet()

void OpenMD::SelectionManager::setTorsionSelectionSet ( const SelectionSet & bs )

inline

Definition at line 121 of file SelectionManager.hpp.

◆ toggleSelection() [1/7]

void OpenMD::SelectionManager::toggleSelection ( )

inline

Definition at line 208 of file SelectionManager.hpp.

◆ toggleSelection() [2/7]

void OpenMD::SelectionManager::toggleSelection ( Bend * b )

inline

Definition at line 195 of file SelectionManager.hpp.

◆ toggleSelection() [3/7]

void OpenMD::SelectionManager::toggleSelection ( Bond * b )

inline

Definition at line 192 of file SelectionManager.hpp.

◆ toggleSelection() [4/7]

void OpenMD::SelectionManager::toggleSelection ( Inversion * i )

inline

Definition at line 201 of file SelectionManager.hpp.

◆ toggleSelection() [5/7]

void OpenMD::SelectionManager::toggleSelection ( Molecule * m )

inline

Definition at line 204 of file SelectionManager.hpp.

◆ toggleSelection() [6/7]

void OpenMD::SelectionManager::toggleSelection ( StuntDouble * sd )

inline

Definition at line 189 of file SelectionManager.hpp.

◆ toggleSelection() [7/7]

void OpenMD::SelectionManager::toggleSelection ( Torsion * t )

inline

Definition at line 198 of file SelectionManager.hpp.

Friends And Related Symbol Documentation

◆ operator&

SelectionManager operator&	(	const SelectionManager &	sman1,
		const SelectionManager &	sman2 )

friend

Definition at line 687 of file SelectionManager.cpp.

◆ operator-

SelectionManager operator-	(	const SelectionManager &	sman1,
		const SelectionManager &	sman2 )

friend

Definition at line 701 of file SelectionManager.cpp.

◆ operator^

SelectionManager operator^	(	const SelectionManager &	sman1,
		const SelectionManager &	sman2 )

friend

Definition at line 694 of file SelectionManager.cpp.

◆ operator|

SelectionManager operator\|	(	const SelectionManager &	sman1,
		const SelectionManager &	sman2 )

friend

Definition at line 680 of file SelectionManager.cpp.

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

selection/SelectionManager.hpp
selection/SelectionManager.cpp

Public Member Functions

Friends

Detailed Description

Constructor & Destructor Documentation

◆ SelectionManager()

Member Function Documentation

◆ addBendSelectionSet()

◆ addBondSelectionSet()

◆ addInversionSelectionSet()

◆ addMoleculeSelectionSet()

◆ addSelection() [1/6]

◆ addSelection() [2/6]

◆ addSelection() [3/6]

◆ addSelection() [4/6]

◆ addSelection() [5/6]

◆ addSelection() [6/6]

◆ addSelectionSet()

◆ addTorsionSelectionSet()

◆ beginSelected()

◆ beginSelectedBend()

◆ beginSelectedBond()

◆ beginSelectedInversion()

◆ beginSelectedMolecule()

◆ beginSelectedTorsion()

◆ beginUnselected()

◆ beginUnselectedBend()

◆ beginUnselectedBond()

◆ beginUnselectedInversion()

◆ beginUnselectedMolecule()

◆ beginUnselectedTorsion()

◆ clearSelection() [1/7]

◆ clearSelection() [2/7]

◆ clearSelection() [3/7]

◆ clearSelection() [4/7]

◆ clearSelection() [5/7]

◆ clearSelection() [6/7]

◆ clearSelection() [7/7]

◆ getBendSelectionCount()

◆ getBondSelectionCount()

◆ getInversionSelectionCount()

◆ getMoleculeSelectionCount()

◆ getSelectedAtomTypes()

◆ getSelectionCount()

◆ getSelectionCounts()

◆ getSelectionSet()

◆ getTorsionSelectionCount()

◆ isEmpty()

◆ isGlobalIDSelected()

◆ isSelected() [1/6]

◆ isSelected() [2/6]

◆ isSelected() [3/6]

◆ isSelected() [4/6]

◆ isSelected() [5/6]

◆ isSelected() [6/6]

◆ nextSelected()

◆ nextSelectedBend()

◆ nextSelectedBond()

◆ nextSelectedInversion()

◆ nextSelectedMolecule()

◆ nextSelectedTorsion()

◆ nextUnselected()

◆ nextUnselectedBend()

◆ nextUnselectedBond()

◆ nextUnselectedInversion()

◆ nextUnselectedMolecule()

◆ nextUnselectedTorsion()

◆ nthSelectedMolecule()

◆ operator&=()

◆ operator-=()

◆ operator^=()

◆ operator|=()

◆ removeAtomsInRigidBodies()

◆ replaceRigidBodiesWithAtoms()

◆ selectAll()

◆ setBendSelectionSet()

◆ setBondSelectionSet()

◆ setInversionSelectionSet()

◆ setMoleculeSelectionSet()

◆ setSelection() [1/6]

◆ setSelection() [2/6]