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cpsp::HCore Class Reference

#include <HCore.hh>

Detailed Description

An H-core represents the possible coordinates for the H-monomers of a lattice protein in the HP- or HPNX-model.

Definition at line 41 of file HCore.hh.


Public Types

typedef biu::IntPoint CorePoint
typedef std::set< CorePoint > CPointSet

Public Member Functions

void addPoint (const CorePoint &toAdd)
biu::IntPoint getCenter () const
unsigned int getContacts () const
const CoreFrame *const getCoreFrame () const
const biu::IndexSet & getIndexedHSinglets (const biu::LatticeFrame *latFrame)
const biu::IndexSet & getIndexedHull (const biu::LatticeFrame *latFrame, const unsigned int hullLevel)
const biu::IndexSet & getIndexedPSinglets (const biu::LatticeFrame *latFrame)
int getMaxDimension () const
unsigned int getMinEvenOdd (void)
int getNumOfHSinglets (const biu::LatticeFrame *latFrame)
int getNumOfPSinglets (const biu::LatticeFrame *latFrame)
const biu::IPointSet & getPoints () const
unsigned int getSize () const
 HCore (const unsigned int contacts, const unsigned int size)
 HCore ()
bool isValid () const
void reset (const unsigned int contacts, const unsigned int size)
virtual ~HCore ()

Protected Types

typedef std::vector
< biu::IndexSet > 		IndSetVec

Protected Member Functions

void indexHulls (const biu::LatticeFrame *latFrame, const unsigned int maxHullLevel)

Protected Attributes

unsigned int actFrameSize
unsigned int contacts
CoreFrame coreFrame
unsigned int evenPositions
biu::IndexSet hSinglets
IndSetVec hull
int numOfHSinglets
int numOfPSinglets
CPointSet points
biu::IndexSet pSinglets
unsigned int size

Data Structures

class  CoreFrame
 The CoreFrame handles the maximal dimensions of the H-core. More...

Member Typedef Documentation

typedef biu::IntPoint cpsp::HCore::CorePoint

an H-core position

Definition at line 45 of file HCore.hh.

typedef std::set<CorePoint> cpsp::HCore::CPointSet

a std::set of CorePoint objects

Definition at line 47 of file HCore.hh.

typedef std::vector<biu::IndexSet> cpsp::HCore::IndSetVec [protected]

Definition at line 99 of file HCore.hh.

Constructor & Destructor Documentation

cpsp::HCore::HCore (  ) 

Definition at line 26 of file HCore.cc.

cpsp::HCore::HCore ( const unsigned int  contacts,
const unsigned int  size 
)

Definition at line 33 of file HCore.cc.

cpsp::HCore::~HCore (  )  [virtual]

Definition at line 40 of file HCore.cc.

Member Function Documentation

void cpsp::HCore::addPoint ( const CorePoint &  toAdd  ) 

Adds a CorePoint object to the H-core.

Definition at line 57 of file HCore.cc.

biu::IntPoint cpsp::HCore::getCenter (  )  const [inline]

Returns the center of the H-core.

Definition at line 173 of file HCore.hh.

unsigned int cpsp::HCore::getContacts (  )  const [inline]

Returns the number of H-H-contacts in the H-core.

Definition at line 150 of file HCore.hh.

const CoreFrame* const cpsp::HCore::getCoreFrame (  )  const [inline]

Returns the surrounding core frame.

Definition at line 140 of file HCore.hh.

const biu::IndexSet & cpsp::HCore::getIndexedHSinglets ( const biu::LatticeFrame *  latFrame  ) 

Returns the indexed H-singlet positions of the core, shifted to the center of the lattice frame.

Definition at line 208 of file HCore.cc.

const biu::IndexSet & cpsp::HCore::getIndexedHull ( const biu::LatticeFrame *  latFrame,
const unsigned int  hullLevel 
)

Returns the indexed hull of the H-core, shifted to the center of the lattice frame.

Definition at line 117 of file HCore.cc.

const biu::IndexSet & cpsp::HCore::getIndexedPSinglets ( const biu::LatticeFrame *  latFrame  ) 

Returns the indexed P-singlet positions of the first hull, shifted to the center of the lattice frame.

Returns the indexed P-singlet positions of the first hull, shifted to the center of the lattice frame.

Definition at line 202 of file HCore.cc.

int cpsp::HCore::getMaxDimension (  )  const [inline]

Returns the maximal dimension of the surrounding core frame.

Definition at line 183 of file HCore.hh.

unsigned int cpsp::HCore::getMinEvenOdd ( void   ) 

Returns the smaller number of even vs. odd positions.

Definition at line 214 of file HCore.cc.

int cpsp::HCore::getNumOfHSinglets ( const biu::LatticeFrame *  latFrame  ) 

Returns the number of H-singlets, if the core is valid, otherwise -1 is returned.

Definition at line 124 of file HCore.cc.

int cpsp::HCore::getNumOfPSinglets ( const biu::LatticeFrame *  latFrame  ) 

Returns the number of P-singlets, if the core is valid, otherwise -1 is returned.

Definition at line 162 of file HCore.cc.

const biu::IPointSet& cpsp::HCore::getPoints (  )  const [inline]

Returns the unshifted H-core coordinates.

Definition at line 159 of file HCore.hh.

unsigned int cpsp::HCore::getSize (  )  const [inline]

Returns the size of the H-core. The return value might differ from the available CorePoints of the H-core, if this core is NOT VALID.

Definition at line 146 of file HCore.hh.

void cpsp::HCore::indexHulls ( const biu::LatticeFrame *  latFrame,
const unsigned int  maxHullLevel 
) [protected]

Calculacte the indexed hulls of the H-core, shifted to the center of the lattice frame.

Definition at line 65 of file HCore.cc.

bool cpsp::HCore::isValid (  )  const [inline]

Returns if this core is ready to be used. This is not the case, if not enough points are added.

Definition at line 155 of file HCore.hh.

void cpsp::HCore::reset ( const unsigned int  contacts,
const unsigned int  size 
)

Resizes the core to the given size and deletes the current point data. The H-core data has to be refilled afterwards to make it valid.

Definition at line 45 of file HCore.cc.

Field Documentation

unsigned int cpsp::HCore::actFrameSize [protected]

the last frame size, that was used for indexing

Definition at line 114 of file HCore.hh.

unsigned int cpsp::HCore::contacts [protected]

the number of H-H-contacts in the h-core

Definition at line 102 of file HCore.hh.

CoreFrame cpsp::HCore::coreFrame [protected]

the core frame of this H-core

Definition at line 111 of file HCore.hh.

unsigned int cpsp::HCore::evenPositions [protected]

The number of even positions of the core.

Definition at line 130 of file HCore.hh.

biu::IndexSet cpsp::HCore::hSinglets [protected]

the indexed H-singlet positions of the core

Definition at line 122 of file HCore.hh.

IndSetVec cpsp::HCore::hull [protected]

the indexed hull data, shifted to the center of latFrame

Definition at line 117 of file HCore.hh.

int cpsp::HCore::numOfHSinglets [protected]

the number of H-singlets

Definition at line 109 of file HCore.hh.

int cpsp::HCore::numOfPSinglets [protected]

the number of P-singlets

Definition at line 108 of file HCore.hh.

CPointSet cpsp::HCore::points [protected]

the set of core elements.

Definition at line 106 of file HCore.hh.

biu::IndexSet cpsp::HCore::pSinglets [protected]

the indexed P-singlet positions of the first hull

Definition at line 120 of file HCore.hh.

unsigned int cpsp::HCore::size [protected]

the number of CorePoints of the h-core

Definition at line 104 of file HCore.hh.

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