Inheritance diagram for pairPotentialList:

Collaboration diagram for pairPotentialList:

Public Member Functions
	pairPotentialList ()

	pairPotentialList (const List< word > &idList, const dictionary &pairPotentialDict, const polyMesh &mesh)
	Construct from idList and potential dictionaries. More...

	~pairPotentialList ()
	Destructor. More...

void	buildPotentials (const List< word > &idList, const dictionary &pairPotentialDict, const polyMesh &mesh)

scalar	rCutMax () const

scalar	rCutMaxSqr () const

bool	rCutMaxSqr (scalar rIJMagSqr) const

const pairPotential &	pairPotentialFunction (const label a, const label b) const

bool	rCutSqr (const label a, const label b, const scalar rIJMagSqr) const

scalar	rMin (const label a, const label b) const

scalar	dr (const label a, const label b) const

scalar	rCutSqr (const label a, const label b) const

scalar	rCut (const label a, const label b) const

scalar	force (const label a, const label b, const scalar rIJMag) const

scalar	energy (const label a, const label b, const scalar rIJMag) const

const pairPotential &	electrostatic () const

Public Member Functions inherited from PtrList< pairPotential >
constexpr	PtrList () noexcept
	Default construct. More...

	PtrList (const label len)
	Construct with specified size, each element initialized to nullptr. More...

	PtrList (const PtrList< pairPotential > &list)
	Copy construct using 'clone()' method on each element. More...

	PtrList (PtrList< pairPotential > &&list) noexcept
	Move construct. More...

	PtrList (UList< pairPotential * > &list)
	Take ownership of pointers in the list, set old pointers to null. More...

	PtrList (const PtrList< pairPotential > &list, const CloneArg &cloneArgs)
	Copy construct using 'clone()' method on each element. More...

	PtrList (PtrList< pairPotential > &list, bool reuse)
	Construct as copy or re-use as specified. More...

	PtrList (const SLPtrList< pairPotential > &list)
	Copy construct using 'clone()' on each element of SLPtrList<T> More...

	PtrList (Istream &is, const INew &inew)
	Construct from Istream using given Istream constructor class. More...

	PtrList (Istream &is)
	Construct from Istream using default Istream constructor class. More...

	~PtrList ()
	Destructor. Frees all pointers. More...

PtrList< pairPotential >	clone (Args &&... args) const
	Make a copy by cloning each of the list elements. More...

Foam::PtrList< pairPotential >	clone (Args &&... args) const

const pairPotential *	set (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking). More...

autoPtr< pairPotential >	set (const label i, pairPotential *ptr)
	Set element to given pointer and return old element (can be null) More...

autoPtr< pairPotential >	set (const label i, std::unique_ptr< pairPotential > &&ptr)
	Set element to given unique_ptr and return old element. More...

autoPtr< pairPotential >	set (const label i, autoPtr< pairPotential > &&ptr)
	Set element to given autoPtr and return old element. More...

autoPtr< pairPotential >	set (const label i, const refPtr< pairPotential > &ptr)
	Set element to given refPtr and return old element. More...

autoPtr< pairPotential >	set (const label i, const tmp< pairPotential > &ptr)
	Set element to given tmp and return old element. More...

autoPtr< pairPotential >	set (const label i, autoPtr< pairPotential > &ptr)
	Set element to given autoPtr and return old element. More...

void	clear ()
	Clear the PtrList. Delete allocated entries and set size to zero. More...

void	free ()
	Free memory and nullify all entries. Does not change the list size. More...

void	resize (const label newLen)
	Adjust size of PtrList. More...

void	resize_null (const label newLen)
	Set the addressed list to the given size, deleting all existing entries. Afterwards the list contains all `nullptr` entries. More...

pairPotential &	emplace_back (Args &&... args)
	Construct and append an element to the end of the list, return reference to the new list element. More...

void	push_back (pairPotential *ptr)
	Append an element to the end of the list. More...

void	push_back (std::unique_ptr< pairPotential > &&ptr)
	Move append an element to the end of the list. More...

void	push_back (autoPtr< pairPotential > &&ptr)
	Move append an element to the end of the list. More...

void	push_back (const refPtr< pairPotential > &ptr)
	Move or clone append a refPtr to the end of the list. More...

void	push_back (const tmp< pairPotential > &ptr)
	Move or clone append a tmp to the end of the list. More...

void	push_back (PtrList< pairPotential > &&other)
	Move append another list to the end of this list. More...

void	push_back (autoPtr< pairPotential > &ptr)=delete
	Disallow push_back with autoPtr without std::move. More...

pairPotential &	emplace_set (const label i, Args &&... args)
	Construct and set a new element at given position, (discard old element at that location). More...

pairPotential &	emplace (const label i, Args &&... args)
	Same as emplace_set() More...

pairPotential &	try_emplace (const label i, Args &&... args)
	Like emplace_set() but will not overwrite an occupied (non-null) location. More...

autoPtr< pairPotential >	release (const label i)
	Release ownership of the pointer at the given position. More...

void	transfer (PtrList< pairPotential > &list)
	Transfer into this list and annul the argument list. More...

void	operator= (const PtrList< pairPotential > &list)
	Copy assignment. More...

void	operator= (PtrList< pairPotential > &&list)
	Move assignment. More...

void	setSize (const label newLen)
	Same as resize() More...

void	append (autoPtr< pairPotential > &ptr)
	Move append an element to the end of the list. More...

void	append (pairPotential *ptr)
	Append an element to the end of the list. More...

void	append (std::unique_ptr< pairPotential > &&ptr)
	Move append an element to the end of the list. More...

void	append (autoPtr< pairPotential > &&ptr)
	Move append an element to the end of the list. More...

void	append (const refPtr< pairPotential > &ptr)
	Move or clone append a tmp to the end of the list. More...

void	append (const tmp< pairPotential > &ptr)
	Move or clone append a tmp to the end of the list. More...

void	append (PtrList< pairPotential > &&other)
	Move append another list to the end of this list. More...

Public Member Functions inherited from UPtrList< T >
constexpr	UPtrList () noexcept=default
	Default construct. More...

	UPtrList (const label len)
	Construct with specified size and set all entries to `nullptr`. More...

	UPtrList (const UPtrList< T > &list)
	Copy construct (shallow copies addresses) More...

	UPtrList (UPtrList< T > &&list) noexcept
	Move construct. More...

	UPtrList (UPtrList< T > &list, bool reuse)
	Construct as shallow copy or re-use as specified. More...

	UPtrList (PtrList< T > &list)
	Shallow copy from PtrList. More...

	UPtrList (const UList< T *> &list)
	Construct from UList of pointers (shallow copy) More...

	UPtrList (UList< T > &list)
	Construct from UList, taking the address of each list element. More...

bool	empty () const noexcept
	True if the list is empty (ie, size() is zero) More...

label	size () const noexcept
	The number of entries in the list. More...

label	capacity () const noexcept
	Size of the underlying storage. More...

label	count () const noexcept
	The number of non-null entries in the list. More...

T &	front ()
	Reference to the first element of the list. More...

const T &	front () const
	Reference to first element of the list. More...

T &	back ()
	Reference to the last element of the list. More...

const T &	back () const
	Reference to the last element of the list. More...

const T *	test (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking). More...

const T *	get (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking). More...

T *	get (const label i)
	Return pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking). More...

const T *	set (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking). More...

void	clear ()
	Set list size to zero. More...

void	free ()
	Nullify all entries. Does not change the list size. More...

void	resize (const label newLen)
	Change the size of the list. Any new entries are `nullptr`. More...

void	resize_null (const label newLen)
	Set the list to the given size and set all entries to `nullptr`. More...

label	squeezeNull ()
	Squeeze out nullptr entries in the list of pointers after which any null pointers will be at the end of the list. More...

void	trimTrailingNull ()
	Reduce addressable list size to ignore any trailing null pointers. More...

void	push_back (T *ptr)
	Append an element to the end of the list. More...

void	push_back (UPtrList< T > &&other)
	Move append another list to the end of this list. More...

void	swap (UPtrList< T > &list) noexcept
	Swap content. More...

void	transfer (UPtrList< T > &list)
	Transfer contents into this list and annul the argument. More...

T *	set (const label i, T *ptr)
	Set element to specified pointer and return the old list element, which can be a nullptr. More...

void	reorder (const labelUList &oldToNew, const bool check=false)
	Reorder elements. Reordering must be unique (ie, shuffle). More...

void	sortOrder (const labelUList &order, const bool check=false)
	Reorder elements according to new order mapping (newToOld). Reordering must be unique (ie, shuffle). More...

void	checkNonNull () const
	Check and raise FatalError if any nullptr exists in the list. More...

const T &	at (const label i) const
	Return const reference to the element at given position. FatalError for bounds problem or nullptr. More...

T &	at (const label i)
	Return reference to the element at given position. FatalError for bounds problem or nullptr. More...

const T &	operator[] (const label i) const
	Return const reference to the element at given position. FatalError for bounds problem or nullptr. Same as at(). More...

T &	operator[] (const label i)
	Return reference to the element at given position. FatalError for bounds problem or nullptr. Same as at(). More...

	FOAM_DEPRECATED_FOR (2022-09, "get(), set() or test() methods") const T *operator()(const label i) const
	Deprecated(2022-09) - same as get() More...

void	operator= (const UPtrList< T > &list)
	Copy assignment (shallow copies addresses) More...

void	operator= (UPtrList< T > &&list)
	Move assignment. More...

T **	begin_ptr () noexcept
	Iterator to begin of raw pointers traversal (use with caution) More...

T **	end_ptr () noexcept
	Iterator beyond end of raw pointers traversal (use with caution) More...

iterator	begin ()
	Return iterator to begin traversal of non-nullptr entries. More...

iterator	end () noexcept
	Return iterator beyond end of UPtrList traversal. More...

const_iterator	cbegin () const
	Return const_iterator to begin traversal of non-nullptr entries. More...

const_iterator	cend () const noexcept
	Return const_iterator beyond end of UPtrList traversal. More...

const_iterator	begin () const
	Return const_iterator to begin traversal of non-nullptr entries. More...

const_iterator	end () const noexcept
	Return const_iterator beyond end of UPtrList traversal. More...

void	setSize (const label n)
	Alias for resize() More...

T &	first ()
	Reference to the first element of the list. More...

const T &	first () const
	Return reference to first element of the list. More...

T &	last ()
	Return reference to the last element of the list. More...

const T &	last () const
	Return reference to the last element of the list. More...

void	append (T *ptr)
	Append an element to the end of the list. More...

void	append (UPtrList< T > &&other)
	Move append another list to the end of this list. More...

Additional Inherited Members
Public Types inherited from UPtrList< T >
typedef T	value_type
	Type of values the list contains. More...

typedef T &	reference
	A non-const reference to the value_type. More...

typedef const T &	const_reference
	A const reference to the value_type. More...

Protected Member Functions inherited from PtrList< pairPotential >
void	readIstream (Istream &is, const INew &inew)
	Read from Istream using Istream constructor class. More...

Protected Member Functions inherited from UPtrList< T >
void	setAddressableSize (const label n) noexcept
	Adjust addressable size. More...

label	find_next (label pos) const
	The next non-null entry after the specified position. More...

	UPtrList (Detail::PtrListDetail< T > &&ptrs) noexcept
	Low-level move construct. More...

Protected Attributes inherited from UPtrList< T >
Detail::PtrListDetail< T >	ptrs_
	The list of pointers. More...

Detailed Description

Source files

Definition at line 49 of file pairPotentialList.H.

Constructor & Destructor Documentation

◆ pairPotentialList() [1/2]

pairPotentialList ( )

Definition at line 185 of file pairPotentialList.C.

◆ pairPotentialList() [2/2]

pairPotentialList	(	const List< word > &	idList,
		const dictionary &	pairPotentialDict,
		const polyMesh &	mesh
	)

Construct from idList and potential dictionaries.

Definition at line 192 of file pairPotentialList.C.

References mesh.

◆ ~pairPotentialList()

~pairPotentialList ( )

Destructor.

Definition at line 206 of file pairPotentialList.C.

Member Function Documentation

◆ buildPotentials()

void buildPotentials	(	const List< word > &	idList,
		const dictionary &	pairPotentialDict,
		const polyMesh &	mesh
	)

Definition at line 213 of file pairPotentialList.C.

References mesh, setSize(), and UList< T >::size().

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◆ rCutMax()

Foam::scalar rCutMax ( ) const

inline

Definition at line 55 of file pairPotentialListI.H.

◆ rCutMaxSqr() [1/2]

Foam::scalar rCutMaxSqr ( ) const

inline

Definition at line 61 of file pairPotentialListI.H.

◆ rCutMaxSqr() [2/2]

bool rCutMaxSqr ( scalar rIJMagSqr ) const

Definition at line 237 of file pairPotentialList.C.

◆ pairPotentialFunction()

const Foam::pairPotential & pairPotentialFunction	(	const label	a,
		const label	b
	)		const

Definition at line 228 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCutSqr() [1/2]

bool rCutSqr	(	const label	a,
		const label	b,
		const scalar	rIJMagSqr
	)		const

Definition at line 249 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rMin()

Foam::scalar rMin	(	const label	a,
		const label	b
	)		const

Definition at line 265 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ dr()

Foam::scalar dr	(	const label	a,
		const label	b
	)		const

Definition at line 275 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCutSqr() [2/2]

Foam::scalar rCutSqr	(	const label	a,
		const label	b
	)		const

Definition at line 285 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCut()

Foam::scalar rCut	(	const label	a,
		const label	b
	)		const

Definition at line 295 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ force()

Foam::scalar force	(	const label	a,
		const label	b,
		const scalar	rIJMag
	)		const

Definition at line 305 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b, and f().

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◆ energy()

Foam::scalar energy	(	const label	a,
		const label	b,
		const scalar	rIJMag
	)		const

Definition at line 318 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b, and Foam::constant::electromagnetic::e.

◆ electrostatic()

const Foam::pairPotential & electrostatic ( ) const

inline

Definition at line 67 of file pairPotentialListI.H.

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

src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ pairPotentialList() [1/2]

◆ pairPotentialList() [2/2]

◆ ~pairPotentialList()

Member Function Documentation

◆ buildPotentials()

◆ rCutMax()

◆ rCutMaxSqr() [1/2]

◆ rCutMaxSqr() [2/2]

◆ pairPotentialFunction()

◆ rCutSqr() [1/2]

◆ rMin()

◆ dr()

◆ rCutSqr() [2/2]

◆ rCut()

◆ force()

◆ energy()

◆ electrostatic()