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biu::LatticeProtein Class Reference

#include <LatticeProtein.hh>

Inheritance diagram for biu::LatticeProtein:

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Detailed Description

The abstract LatticeProtein interface represents a backbone protein representation in an energy landscape whereby all backbone edges are placed on integer lattice points and consecutive positions are neighbored in the lattice.

Such a structure is valid, if and only if it is selfavoiding walk in the lattice.

The energy calulation is based on a DistanceEnergyFunction object. A contact is formed, if two structure positions are neighbored and not consecutive in sequence.

Author:
Martin Mann, Sebastian Will, Andreas Richter

Definition at line 26 of file LatticeProtein.hh.

Public Member Functions

virtual DPointVec get3Ddata () const=0
virtual double getDRMSD (const BackboneStructure3D &other) const=0
virtual double getEnergy () const=0
virtual const DistanceEnergyFunctiongetEnergyFunction () const=0
virtual const LatticeModelgetLatticeModel () const=0
virtual size_t getLength () const=0
virtual MoveSequence getMoveSeqAbs () const=0
virtual MoveSequence getMoveSeqRel () const=0
virtual std::string getMoveStrAbs () const=0
virtual std::string getMoveStrRel () const=0
virtual IPointVec getPoints () const=0
virtual Sequence getSequence () const=0
virtual const SequencegetSequenceRef () const=0
virtual std::string getStringRepresentation () const=0
virtual Structure getStructure () const=0
virtual bool isConnected () const=0
virtual bool isSelfAvoiding () const=0
virtual bool isSequenceShared () const=0
virtual bool isValid () const=0
 LatticeProtein ()
virtual bool operator!= (const LatticeProtein &latProt2) const=0
virtual bool operator== (const LatticeProtein &latProt2) const=0
virtual ~LatticeProtein ()


Constructor & Destructor Documentation

biu::LatticeProtein::LatticeProtein (  )  [inline]

empty constructor

Definition at line 30 of file LatticeProtein.hh.

virtual biu::LatticeProtein::~LatticeProtein (  )  [inline, virtual]

empty desctructor

Definition at line 34 of file LatticeProtein.hh.


Member Function Documentation

virtual DPointVec biu::BackboneStructure3D::get3Ddata (  )  const [pure virtual, inherited]

Returns the consecutive point representation of the backbone.

Implemented in biu::LatticeProtein_Ipnt, and biu::OffLatticeProtein.

virtual double biu::BackboneStructure3D::getDRMSD ( const BackboneStructure3D other  )  const [pure virtual, inherited]

Returns the distance root mean square deviation (DRMSD) to an other BackboneStructure3D

Implemented in biu::LatticeProtein_Ipnt, and biu::OffLatticeProtein.

virtual double biu::BioMolecule::getEnergy (  )  const [pure virtual, inherited]

Returns the specific energy of the BioMolecule.

Implemented in biu::LatticeProtein_Ipnt, and biu::RNAStructure_TB.

virtual const DistanceEnergyFunction* biu::LatticeProtein::getEnergyFunction (  )  const [pure virtual]

Returns the energy function this lattice protein is basing on.

Implemented in biu::LatticeProtein_I.

virtual const LatticeModel* biu::LatticeProtein::getLatticeModel (  )  const [pure virtual]

Returns the lattice model this lattice protein is basing on.

Implemented in biu::LatticeProtein_I.

virtual size_t biu::BioMolecule::getLength (  )  const [pure virtual, inherited]

Returns the length of the Biomolecule, i.e. the number of monomers.

Implemented in biu::LatticeProtein_I, biu::RNAStructure, and biu::RNAStructure_TB.

virtual MoveSequence biu::LatticeProtein::getMoveSeqAbs (  )  const [pure virtual]

Returns the absolute move sequence of the lattice protein structure.

Implemented in biu::LatticeProtein_Ipnt.

virtual MoveSequence biu::LatticeProtein::getMoveSeqRel (  )  const [pure virtual]

Returns the relative move sequence of the lattice protein structure.

Implemented in biu::LatticeProtein_Ipnt.

virtual std::string biu::LatticeProtein::getMoveStrAbs (  )  const [pure virtual]

Returns the absolute move string representation of the lattice protein structure.

Implemented in biu::LatticeProtein_Ipnt.

virtual std::string biu::LatticeProtein::getMoveStrRel (  )  const [pure virtual]

Returns the relative move string representation of the lattice protein structure.

Implemented in biu::LatticeProtein_Ipnt.

virtual IPointVec biu::LatticeProtein::getPoints (  )  const [pure virtual]

Returns the successive 3D coordinates of the lattice protein structure.

Implemented in biu::LatticeProtein_Ipnt.

virtual Sequence biu::BioMolecule::getSequence (  )  const [pure virtual, inherited]

virtual const Sequence* biu::LatticeProtein::getSequenceRef (  )  const [pure virtual]

Returns the pointer to the sequence if shared and a new sequence object otherwise.

NOTE: This object has to be deleted by the user manually!

Implemented in biu::LatticeProtein_I.

virtual std::string biu::BioMolecule::getStringRepresentation (  )  const [pure virtual, inherited]

Returns a specific std::string representation of this BioMolecule.

Implemented in biu::LatticeProtein_Ipnt, biu::RNAStructure, and biu::RNAStructure_TB.

virtual Structure biu::BioMolecule::getStructure (  )  const [pure virtual, inherited]

virtual bool biu::LatticeProtein::isConnected (  )  const [pure virtual]

Tests whether or not consecutive structure elements are neighbored in the lattice.

Implemented in biu::LatticeProtein_Ipnt.

virtual bool biu::LatticeProtein::isSelfAvoiding (  )  const [pure virtual]

Tests whether or not the structure is self avoiding.

Implemented in biu::LatticeProtein_Ipnt.

virtual bool biu::LatticeProtein::isSequenceShared (  )  const [pure virtual]

Returns whether or not the sequence is shared among several LatticeProtein objects.

Implemented in biu::LatticeProtein_I.

virtual bool biu::BioMolecule::isValid (  )  const [pure virtual, inherited]

Returns whether or not the BioMolecule is valid concerning some internal criterias (e.g. selfavoidingness of lattice proteins).

Implemented in biu::LatticeProtein_Ipnt, biu::RNAStructure, and biu::RNAStructure_TB.

virtual bool biu::LatticeProtein::operator!= ( const LatticeProtein latProt2  )  const [pure virtual]

Implemented in biu::LatticeProtein_Ipnt.

virtual bool biu::LatticeProtein::operator== ( const LatticeProtein latProt2  )  const [pure virtual]

Implemented in biu::LatticeProtein_Ipnt.


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