Continuum Membrane 719025a62b1e384a6ff80e2f2a223ef4012153dc
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Energy.hpp
Go to the documentation of this file.
1
10#pragma once
11
12#include <math.h>
13#include <cmath>
14#include <vector>
15#include <string>
16#include <ostream>
17
26class Energy{
27public:
28
29 double energyCurvature = 0.0;
30 double energyArea = 0.0;
31 double energyVolume = 0.0;
32 double energyThickness = 0.0;
33 double energyTilt = 0.0;
34 double energyRegularization = 0.0;
35 double energyHarmonicBond = 0.0;
36 double energyGagScaffolding = 0.0;
38 double energyTotal = 0.0;
39
40
46
53 Energy(const Energy& energy);
54
60
66 friend std::ostream& operator<<(std::ostream& stream, const Energy& energy);
67};
68
77Energy& operator+=(Energy& e1, const Energy& e2);
Energy & operator+=(Energy &e1, const Energy &e2)
Add the energy components of two Energy objects together and update the first Energy object with the ...
This class includes components in calculating energy on vertrices including membrane bending energy,...
Definition Energy.hpp:26
double calculateTotalEnergy()
Set energyTotal to the sum of energy components.
double energyVolume
Variable to store volume constraint energy.
Definition Energy.hpp:31
double energyTotal
Variable to store total energy.
Definition Energy.hpp:38
double energyRegularization
Variable to store regularization energy.
Definition Energy.hpp:34
double energyIdealizedProteinLattice
Variable to store idealized per-instance protein lattice energy.
Definition Energy.hpp:37
Energy(const Energy &energy)
Construct a new Energy object by copying all member values to the new Energy instance,...
double energyHarmonicBond
Variable to store harmonic bond energy.
Definition Energy.hpp:35
double energyGagScaffolding
Variable to store Gag-specific scaffold internal energy.
Definition Energy.hpp:36
double energyThickness
Variable to store thickness constraint energy.
Definition Energy.hpp:32
double energyArea
Variable to store area constraint energy.
Definition Energy.hpp:30
double energyCurvature
Variable to store curvature energy.
Definition Energy.hpp:29
friend std::ostream & operator<<(std::ostream &stream, const Energy &energy)
Overrides the operator << in ostream. Outputs force in the format of (forceTotal[0],...
Energy()
Generate a new Energy object with all energy terms set to zero.
double energyTilt
Variable to store tilt angle constraint energy.
Definition Energy.hpp:33