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Public Member Functions
Omega Class Reference

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

+ Inheritance diagram for Omega:
+ Collaboration diagram for Omega:

Public Member Functions

virtual double calculateMaxEnergy (Spacer &sp)
 
virtual double calculateMaxEnergy (unsigned int amino)
 
virtual double calculateMinEnergy (Spacer &sp)
 
virtual double calculateMinEnergy (unsigned int amino)
 

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 omega angles.

Member Function Documentation

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