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PhiPsiOmegaChi1 Class Reference

class manages the angle qualities and the energy More...

+ Inheritance diagram for PhiPsiOmegaChi1:
+ Collaboration diagram for PhiPsiOmegaChi1:

Public Member Functions

virtual long double calculateEnergy (Spacer &sp)
 
virtual long double calculateEnergy (Spacer &sp, unsigned int index1, unsigned int index2)
 
virtual long double calculateEnergy (AminoAcid &aa)
 
virtual double calculateMaxEnergy (Spacer &sp)
 
virtual double calculateMaxEnergy (unsigned int amino)
 
virtual double calculateMinEnergy (Spacer &sp)
 
virtual double calculateMinEnergy (unsigned int amino)
 

Protected Member Functions

virtual void pConstructData ()
 
virtual void pResetData ()
 

Detailed Description

class manages the angle qualities and the energy

This class implements a simple torsion potential based on the statistical preference of aminoacid types for phi, psi, omega and chi1 angles.

Member Function Documentation

long double calculateEnergy ( Spacer sp)
virtual

calculates energy

Parameters
spacerreference

Implements TorsionPotential.

long double calculateEnergy ( Spacer sp,
unsigned int  index1,
unsigned int  index2 
)
virtual

calculates energy

Parameters
spacerreference, unsigned int for index 1 and 2

Implements TorsionPotential.

long double calculateEnergy ( AminoAcid aa)
virtual

calculates energy

Parameters
aminoacid reference

Implements TorsionPotential.

double calculateMaxEnergy ( Spacer sp)
virtualinherited

Calculates the maximum energy for the amino acids in the spacer

Parameters
spacerreference(Spacer&)
Returns
the corresponding value( double)
double calculateMaxEnergy ( unsigned int  amino)
virtualinherited

Calculates the maximum energy for an amino acid

Parameters
indexof the amino acid, consider the enum list(unsigned int)
Returns
the corresponding value( double)
double calculateMinEnergy ( Spacer sp)
virtualinherited

Calculates the minimum energy for the amino acids in the spacer

Parameters
spacerreference(Spacer&)
Returns
the corresponding value( double)
double calculateMinEnergy ( unsigned int  amino)
virtualinherited

Calculates the minimum energy for an amino acid

Parameters
indexof the amino acid, consider the enum list(unsigned int)
Returns
the corresponding value( double)
void pConstructData ( )
protectedvirtual
Parameters

Implements TorsionPotential.

void pResetData ( )
protectedvirtual
Parameters

Implements TorsionPotential.


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