ParticleArray< T > Class Template Reference

#include <ParticleArray.h>

List of all members.

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Detailed Description

template<class T>
class ParticleArray< T >

Container class to store particle positions in the x,y, and z directions, centroids and moments.

Public Member Functions
	ParticleArray (uint32 total_temp)
	Constructor, allocates memory for particles, sets total to the argument passed.
	ParticleArray ()
	Default Constructor, sets total to zero.
	~ParticleArray ()
	Destructor.
void	resize (uint32 total_temp)
	Allocates or reallocates memory, sets total to argument passed.
int	size ()
	Returns the number of particles.
void	printData (std::ostream &os)
	Prints all of the data.
void	printXYZ (std::ostream &os)
	Prints only the xyz data.
void	printRasmol (std::ostream &os)
	Prints only the xyz data in rasmol format.
void	printRasmol (std::ostream &os, float scaleWidth, float scaleHeight, float scaleDepth)
	Prints only the xyz data in rasmol format that utilizes centroid data and the actual dimensions of the system.
T	getValue (int i, int j)
	Routine to fetch value at specific index location (i,j).
void	setValue (int i, int j, T value)
Public Attributes
uint32	total
	number of particles
T *	particle
	particle array

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Constructor & Destructor Documentation

template<class T>

ParticleArray< T >::ParticleArray

(

uint32

total_temp

)

[inline]

Constructor, allocates memory for particles, sets total to the argument passed.

Parameters:

total_temp

Number of particles.

template<class T>

ParticleArray< T >::ParticleArray

(

)

[inline]

Default Constructor, sets total to zero.

template<class T>

ParticleArray< T >::~ParticleArray

(

)

[inline]

Destructor.

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Member Function Documentation

template<class T>

void ParticleArray< T >::resize

(

uint32

total_temp

)

[inline]

Allocates or reallocates memory, sets total to argument passed.

Parameters:

total_temp

Number of particles

template<class T>

int ParticleArray< T >::size

(

)

[inline]

Returns the number of particles.

template<class T>

void ParticleArray< T >::printData

(

std::ostream &

os

)

[inline]

Prints all of the data.

Parameters:

os

Destination of output. Can be std::out, file, etc.

template<class T>

void ParticleArray< T >::printXYZ

(

std::ostream &

os

)

[inline]

Prints only the xyz data.

Parameters:

os

Destination of output. Can be std::out, file, etc.

template<class T>

void ParticleArray< T >::printRasmol

(

std::ostream &

os

)

[inline]

Prints only the xyz data in rasmol format.

Parameters:

os

Destination of output. Can be std::out, file, etc.

template<class T>

void ParticleArray< T >::printRasmol	(	std::ostream &	os,
		float	scaleWidth,
		float	scaleHeight,
		float	scaleDepth
	)			[inline]

Prints only the xyz data in rasmol format that utilizes centroid data and the actual dimensions of the system.

Parameters:

	os	Destination of output. Can be std::out, file, etc.
	scaleWidth	Length of a pixel in the width dimension
	scaleHeight	Length of a pixel in the height dimension
	scaleDepth	Length of a pixel in the depth dimension

template<class T>

T ParticleArray< T >::getValue	(	int	i,
		int	j
	)			[inline]

Routine to fetch value at specific index location (i,j).

Provides an easy routine to fetch a value since 1-D arrays are less user-friendly.

Parameters:

	i	Particle ID.
	j	Dimension (0-2), centroid (3-5), m_0 (6), m_2 (7) .

template<class T>

void ParticleArray< T >::setValue	(	int	i,
		int	j,
		T	value
	)			[inline]

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Member Data Documentation

template<class T>

uint32 ParticleArray< T >::total

number of particles

template<class T>

T* ParticleArray< T >::particle

particle array

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

• IPAnalysis/ParticleArray.h

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