TorsionPotential Class Reference

This class implements a simple torsion potential based on the statistical preference of aminoacid types for certain angles. More...

Inheritance diagram for TorsionPotential:

Collaboration diagram for TorsionPotential:

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

This class implements a simple torsion potential based on the statistical preference of aminoacid types for certain angles.

Is a generic class for administrate different angles. Includes methods that allow to calculate max and min energy, also contains virtual methods that will be defined in the differents angles classes.

Member Function Documentation

double calculateMaxEnergy ( Spacer &  sp )

virtual

Calculates the maximum energy for the amino acids in the spacer

Parameters

spacer

reference(Spacer&)

Returns

the corresponding value( double)

double calculateMaxEnergy ( unsigned int  amino )

virtual

Calculates the maximum energy for an amino acid

Parameters

index

of the amino acid, consider the enum list(unsigned int)

Returns

the corresponding value( double)

double calculateMinEnergy ( Spacer &  sp )

virtual

Calculates the minimum energy for the amino acids in the spacer

Parameters

spacer

reference(Spacer&)

Returns

the corresponding value( double)

double calculateMinEnergy ( unsigned int  amino )

virtual

Calculates the minimum energy for an amino acid

Parameters

index

of the amino acid, consider the enum list(unsigned int)

Returns

the corresponding value( double)

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

• Energy/Sources/TorsionPotential/TorsionPotential.h