ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::Vector3DBlock Class Reference

#include <Vector3DBlock.h>

Inheritance diagram for ProtoMol::Vector3DBlock:

ProtoMol::Proxy List of all members.

Public Member Functions

 Vector3DBlock ()
 Vector3DBlock (size_t size)
 Vector3DBlock (size_t size, const Vector3D &init)
void zero (int n=-1)
void cleaR ()
Vector3DBlock & intoAssign (const Vector3DBlock &x)
Vector3DBlock & intoAdd (const Vector3DBlock &x)
Vector3DBlock & intoSubtract (const Vector3DBlock &x)
Vector3DBlock & intoWeightedAdd (Real weight, const Vector3DBlock &x)
Vector3DBlock & intoWeighted (Real weight, const Vector3DBlock &x)
Vector3DBlock & intoWeightedSubtract (Real weight, const Vector3DBlock &x)
void boundingbox (Vector3D &minbb, Vector3D &maxbb) const
Vector3D sum () const
bool fitplane (Vector3D &normal, Real &d, Real &err, int limit=LIMIT) const

Private Types

enum  { LIMIT = 30 }

Private Member Functions

void clear ()

Detailed Description

Container holding a vector (array) of 3D coordinates/vectors

Member Enumeration Documentation

anonymous enum [private]
 

Enumeration values:
LIMIT 

Constructor & Destructor Documentation

ProtoMol::Vector3DBlock::Vector3DBlock (   )  [inline]
 

Make an empty Vector3DBlock object.

ProtoMol::Vector3DBlock::Vector3DBlock (  size_t  size  )  [inline]
 

Make a Vector3DBlock with 'size' elements.

ProtoMol::Vector3DBlock::Vector3DBlock (  size_t  size,
const Vector3D &  init
)  [inline]
 

Make a Vector3DBlock with 'size' elements and initialize them with init.

Member Function Documentation

void ProtoMol::Vector3DBlock::boundingbox (  Vector3D &  minbb,
Vector3D &  maxbb
)  const
 

Compute the boinding box over all elements.

void ProtoMol::Vector3DBlock::cleaR (   )  [inline]
 

void ProtoMol::Vector3DBlock::clear (   )  [private]
 

Catch all clear.

bool ProtoMol::Vector3DBlock::fitplane (  Vector3D &  normal,
Real &  d,
Real &  err,
int  limit = LIMIT
)  const
 

Compute regression plane by SVD.

Vector3DBlock& ProtoMol::Vector3DBlock::intoAdd (  const Vector3DBlock &  x  )  [inline]
 

Add another Vector3DBlock into this one.

Vector3DBlock& ProtoMol::Vector3DBlock::intoAssign (  const Vector3DBlock &  x  )  [inline]
 

copy one Vector3DBlock to another one.

Vector3DBlock& ProtoMol::Vector3DBlock::intoSubtract (  const Vector3DBlock &  x  )  [inline]
 

Subtract another Vector3DBlock from this one.

Vector3DBlock& ProtoMol::Vector3DBlock::intoWeighted (  Real  weight,
const Vector3DBlock &  x
)  [inline]
 

Add a scalar multiple of another Vector3DBlock into this one.

Vector3DBlock& ProtoMol::Vector3DBlock::intoWeightedAdd (  Real  weight,
const Vector3DBlock &  x
)  [inline]
 

Add a scalar multiple of another Vector3DBlock into this one.

Vector3DBlock& ProtoMol::Vector3DBlock::intoWeightedSubtract (  Real  weight,
const Vector3DBlock &  x
)  [inline]
 

Subtract a scalar multiple of another Vector3DBlock from this one.

Vector3D ProtoMol::Vector3DBlock::sum (   )  const
 

Compute the sum over all elements.

void ProtoMol::Vector3DBlock::zero (  int  n = -1  )  [inline]
 

Clear (set to zero) each element of the vector.

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.