This class includes components in calculating energy on vertrices including membrane bending energy, area constraint energy, volume constraint energy, membrane thickness constraint energy, lipid tilting energy, regularization energy, and harmonic bonding energy. More...

#include <Energy.hpp>

Public Member Functions
	Energy ()
	Generate a new Energy object with all energy terms set to zero.

	Energy (const Energy &energy)
	Construct a new Energy object by copying all member values to the new Energy instance, i.e. deepcopy of input energy.

double	calculateTotalEnergy ()
	Set energyTotal to the sum of energy components.

Public Attributes
double	energyCurvature = 0.0
	Variable to store curvature energy.

double	energyArea = 0.0
	Variable to store area constraint energy.

double	energyVolume = 0.0
	Variable to store volume constraint energy.

double	energyThickness = 0.0
	Variable to store thickness constraint energy.

double	energyTilt = 0.0
	Variable to store tilt angle constraint energy.

double	energyRegularization = 0.0
	Variable to store regularization energy.

double	energyHarmonicBond = 0.0
	Variable to store harmonic bond energy.

double	energyGagScaffolding = 0.0
	Variable to store Gag-specific scaffold internal energy.

double	energyIdealizedProteinLattice = 0.0
	Variable to store idealized per-instance protein lattice energy.

double	energyTotal = 0.0
	Variable to store total energy.

Friends
std::ostream &	operator<< (std::ostream &stream, const Energy &energy)
	Overrides the operator << in ostream. Outputs force in the format of (forceTotal[0], forceTotal[1], forceTotal[2]). Used in command line output.

Detailed Description

This class includes components in calculating energy on vertrices including membrane bending energy, area constraint energy, volume constraint energy, membrane thickness constraint energy, lipid tilting energy, regularization energy, and harmonic bonding energy.

Constructor & Destructor Documentation

◆ Energy() [1/2]

Energy::Energy ( )

Generate a new Energy object with all energy terms set to zero.

◆ Energy() [2/2]

Energy::Energy ( const Energy & energy )

Construct a new Energy object by copying all member values to the new Energy instance, i.e. deepcopy of input energy.

Parameters

energy

Member Function Documentation

◆ calculateTotalEnergy()

double Energy::calculateTotalEnergy ( )

Set energyTotal to the sum of energy components.

Returns: Calculated total energy.

Friends And Related Symbol Documentation

◆ operator<<

std::ostream & operator<<	(	std::ostream &	stream,
		const Energy &	energy
	)

friend

Overrides the operator << in ostream. Outputs force in the format of (forceTotal[0], forceTotal[1], forceTotal[2]). Used in command line output.

Member Data Documentation

◆ energyArea

double Energy::energyArea = 0.0

Variable to store area constraint energy.

◆ energyCurvature

double Energy::energyCurvature = 0.0

Variable to store curvature energy.

◆ energyGagScaffolding

double Energy::energyGagScaffolding = 0.0

Variable to store Gag-specific scaffold internal energy.

◆ energyHarmonicBond

double Energy::energyHarmonicBond = 0.0

Variable to store harmonic bond energy.

◆ energyIdealizedProteinLattice

double Energy::energyIdealizedProteinLattice = 0.0

Variable to store idealized per-instance protein lattice energy.

◆ energyRegularization

double Energy::energyRegularization = 0.0

Variable to store regularization energy.

◆ energyThickness

double Energy::energyThickness = 0.0

Variable to store thickness constraint energy.

◆ energyTilt

double Energy::energyTilt = 0.0

Variable to store tilt angle constraint energy.

◆ energyTotal

double Energy::energyTotal = 0.0

Variable to store total energy.

◆ energyVolume

double Energy::energyVolume = 0.0

Variable to store volume constraint energy.

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

include/energy_force/Energy.hpp

Public Member Functions

Public Attributes

Friends