#include <pairPotentialList.H>

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.
	~pairPotentialList ()
	Destructor.
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 >
Foam::PtrList< pairPotential >	clone (Args &&... args) const
constexpr	PtrList () noexcept
	Default construct.
	~PtrList ()
	Destructor. Frees all pointers.
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).
void	clear ()
	Clear the PtrList. Delete allocated entries and set size to zero.
void	free ()
	Free memory and nullify all entries. Does not change the list size.
void	resize (const label newLen)
	Adjust size of PtrList.
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.
pairPotential &	emplace_back (Args &&... args)
	Construct and append an element to the end of the list, return reference to the new list element.
void	push_back (pairPotential *ptr)
	Append an element to the end of the list.
pairPotential &	emplace_set (const label i, Args &&... args)
	Construct and set a new element at given position, (discard old element at that location).
pairPotential &	emplace (const label i, Args &&... args)
	Same as emplace_set().
pairPotential &	try_emplace (const label i, Args &&... args)
	Like emplace_set() but will not overwrite an occupied (non-null) location.
autoPtr< pairPotential >	release (const label i)
	Release ownership of the pointer at the given position.
void	transfer (PtrList< pairPotential > &list)
	Transfer into this list and annul the argument list.
void	operator= (const UPtrList< pairPotential > &list)
	Copy assignment.
void	setSize (const label n)
	Same as resize().
void	append (autoPtr< pairPotential > &ptr)
	Move append an element to the end of the list.
Public Member Functions inherited from UPtrList< pairPotential >
bool	empty () const noexcept
	True if the list is empty (ie, size() is zero).
label	size () const noexcept
	The number of entries in the list.
label	capacity () const noexcept
	Size of the underlying storage.
label	count_nonnull () const noexcept
	The number of non-nullptr entries in the list.
pairPotential &	front ()
	Reference to the first element of the list.
pairPotential &	back ()
	Reference to the last element of the list.
const pairPotential *	test (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking).
const pairPotential *	get (const label i) const
	Return const pointer to element (can be nullptr), or nullptr for out-of-range access (ie, with bounds checking).
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).
void	clear ()
	Set list size to zero.
void	free ()
	Nullify all entries. Does not change the list size.
void	resize (const label newLen)
	Change the size of the list. Any new entries are `nullptr`.
void	resize_null (const label newLen)
	Set the list to the given size and set all entries to `nullptr`.
label	squeezeNull ()
	Squeeze out nullptr entries in the list of pointers after which any null pointers will be at the end of the list.
void	push_back (pairPotential *ptr)
	Append an element to the end of the list.
void	swap (UPtrList< pairPotential > &list) noexcept
	Swap content.
void	transfer (UPtrList< pairPotential > &list)
	Transfer contents into this list and annul the argument.
void	reorder (const labelUList &oldToNew, const bool check=false)
	Reorder elements. Reordering must be unique (ie, shuffle).
void	sortOrder (const labelUList &order, const bool check=false)
	Reorder elements according to new order mapping (newToOld). Reordering must be unique (ie, shuffle).
void	checkNonNull () const
	Check and raise FatalError if any nullptr exists in the list.
const pairPotential &	at (const label i) const
	Return const reference to the element at given position. FatalError for bounds problem or nullptr.
const pairPotential &	operator[] (const label i) const
	Return const reference to the element at given position. FatalError for bounds problem or nullptr. Same as at().
	FOAM_DEPRECATED_FOR (2022-09, "get(), set() or test() methods") const pairPotential *operator()(const label i) const
	Deprecated(2022-09) - same as get().
void	operator= (const UPtrList< pairPotential > &list)
	Copy assignment (shallow copies addresses).
Ostream &	printAddresses (Ostream &os) const
	Print pointer addresses to Ostream (debugging only).
Ostream &	writeList (Ostream &os, const bool trimNull=false) const
	Write UPtrList to Ostream, optionally ignoring null entries.
pairPotential **	begin_ptr () noexcept
	Iterator to begin of raw pointers traversal (use with caution).
pairPotential **	end_ptr () noexcept
	Iterator beyond end of raw pointers traversal (use with caution).
iterator	begin ()
	Return iterator to begin traversal of non-nullptr entries.
iterator	end () noexcept
	Return iterator beyond end of UPtrList traversal.
const_iterator	cbegin () const
	Return const_iterator to begin traversal of non-nullptr entries.
const_iterator	cend () const noexcept
	Return const_iterator beyond end of UPtrList traversal.
void	setSize (const label n)
	Alias for resize().
pairPotential &	first ()
	Reference to the first element of the list.
pairPotential &	last ()
	Return reference to the last element of the list.
void	append (pairPotential *ptr)
	Append an element to the end of the list.
label	count () const noexcept
	The number of non-nullptr entries in the list.

Additional Inherited Members
Public Types inherited from UPtrList< pairPotential >
typedef pairPotential	value_type
	Type of values the list contains.
typedef pairPotential &	reference
	A non-const reference to the value_type.
typedef const pairPotential &	const_reference
	A const reference to the value_type.
Protected Member Functions inherited from PtrList< pairPotential >
void	readIstream (Istream &is, const INew &inew)
	Read from Istream using Istream constructor class.
Protected Member Functions inherited from UPtrList< pairPotential >
void	setAddressableSize (const label n) noexcept
	Adjust addressable size.
label	find_next (label pos) const
	The next non-null entry after the specified position.
	UPtrList (Detail::PtrListDetail< pairPotential > &&ptrs) noexcept
	Low-level move construct.
Protected Attributes inherited from UPtrList< pairPotential >
Detail::PtrListDetail< pairPotential >	ptrs_
	The list of pointers.

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.

References PtrList< pairPotential >::PtrList().

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◆ pairPotentialList() [2/2]

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

Construct from idList and potential dictionaries.

Definition at line 191 of file pairPotentialList.C.

References buildPotentials(), mesh, and PtrList< pairPotential >::PtrList().

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◆ ~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 212 of file pairPotentialList.C.

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

Referenced by pairPotentialList().

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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 227 of file pairPotentialList.C.

References b.

◆ rCutSqr() [1/2]

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

Definition at line 248 of file pairPotentialList.C.

References b, and rCutSqr().

Referenced by rCutSqr().

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◆ rMin()

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

Definition at line 264 of file pairPotentialList.C.

References b.

◆ dr()

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

Definition at line 274 of file pairPotentialList.C.

References b.

◆ rCutSqr() [2/2]

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

Definition at line 284 of file pairPotentialList.C.

References b.

◆ rCut()

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

Definition at line 294 of file pairPotentialList.C.

References b.

◆ force()

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

Definition at line 304 of file pairPotentialList.C.

References b, and f().

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◆ energy()

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

Definition at line 317 of file pairPotentialList.C.

References b, and 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()