PAtomPositionsSpec Class Reference

#include <PAtomPositionsSpec.h>

List of all members.

---

Detailed Description

Encapsulates a map of atom IDs to their respective positions.

Public Member Functions
void	addAtom (const string &id, const Vector3 &position)
int	size () const
void	clear ()
bool	contains (const string &id) const
Vector3	getAtomPosition (const string &id) const

---

Member Function Documentation

void PAtomPositionsSpec::addAtom	(	const string &	id,
		const Vector3 &	position
	)

Adds an atom with the specified ID and specified position to the map.

int PAtomPositionsSpec::size

(

)

const [inline]

Returns the number of atom positions currently in the map.

void PAtomPositionsSpec::clear

(

)

[inline]

Clears all data in the map.

bool PAtomPositionsSpec::contains

(

const string &

id

)

const [inline]

Returns true if the map contains id, false otherwise.

Vector3 PAtomPositionsSpec::getAtomPosition

(

const string &

id

)

const

Returns the position of the atom with the specified ID. Aborts the program if the atom does not exist in the map.

---

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

• src/core/PAtomPositionsSpec.h
• src/core/PBlock.cc

---