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RamachandranData Struct Reference

This struct implements the container for ramachandran plot-like phi/psi angle combinations for the LoopTable class(es). More...

Public Member Functions

 RamachandranData ()
 
 RamachandranData (const RamachandranData &orig)
 
virtual ~RamachandranData ()
 
void cluster (double cutoff)
 
void copy (const RamachandranData &orig)
 
double getRandomPhi (bool noAdvance=false)
 
double getRandomPsi (bool noAdvance=false)
 
void load (istream &input)
 
RamachandranDataoperator= (const RamachandranData &orig)
 
void save (ostream &output)
 

Detailed Description

This struct implements the container for ramachandran plot-like phi/psi angle combinations for the LoopTable class(es).

Constructor & Destructor Documentation

Basic constructor

Constructor based on an original object copy

~RamachandranData ( )
virtual

Basic destructor

Member Function Documentation

void cluster ( double  cutoff)

defines a cluster

Parameters
valuefor the cutoff (double)
Returns
changes are made internally(void)
void copy ( const RamachandranData orig)

copies the original object

Parameters
referenceto the original object(const RamachandranData&)
Returns
changes are made internally(void)
double getRandomPhi ( bool  noAdvance = false)

obtains a random phi value,

Parameters
flagto consider an advance(bool)
Returns
corresponding random value(double)
double getRandomPsi ( bool  noAdvance = false)

obtains a random psi value,

Parameters
flagto consider an advance(bool)
Returns
corresponding random value(double)
void load ( istream &  input)

loads data of the object from an input file

Parameters
referenceto the input file(istream&)
Returns
changes are made internally(void)
RamachandranData & operator= ( const RamachandranData orig)

Allows to assign and original object into another

Parameters
theoriginal object reference(const RamachandranData& )
Returns
reference to the new object( RamachandranData& )
void save ( ostream &  output)

Saves the data from the object in an output file

Parameters
referenceto the output file(ostream)

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