Droplet.h

struct Monolayer

#include <Droplet.h>

Public Functions

Monolayer()

~Monolayer()

void setContext(Options _options, SimData *_simDataPtr, AtomArray *_atomArrayPtr)

void createHist(Grid &grid)

void deleteHist()

void calculateRadius()

void reset()

void fillOne(Atom &atom)

void fill(AtomArray &atoms)

bool inMonolayer(Atom &atom)

void convertUnits()

int monoFlux(vector<double> r, vector<double> z, double *monoLimits, double baseRadius, TH1D *rScaledJoin, TH1D *rScaledLeave, int &nMono)

void findMonoLimits(TH1D *hWaterDens, double *monoLimits)

Public Members

double radius

double height

Options options

SimData *simDataPtr

AtomArray *atomArrayPtr

double zlim[2]

TH1D *hMono

TanhFit tanhFit

bool histCreated

struct CircularBulk

#include <Droplet.h>

Public Functions

CircularBulk()

~CircularBulk()

void setContext(Options options, SimData *_simDataPtr, AtomArray *_atomArrayPtr)

void setHist(TH2D *_hDroplet)

void fillOne(Atom &atom)

void calculateHeight()

void calculateRadius()

void calculateContactAngle()

void calculateSphericalVolume()

void calculateCylindricalVolume()

bool pointOk(double r, double z)

void saveBoundaryPoints()

void findBoundaryPoints()

double fitCircle()

Public Members

int firstBulkBin

double height

double radius

double volume

double contactAngle

CircleFit circle

TanhFit tanhFit

Options options

SimData *simDataPtr

AtomArray *atomArrayPtr

TGraph *gCirclePoints

TH2D *hDroplet

int numPoints

double *boundaryPointsArray[2]

char *headers[2]

struct Droplet

#include <Droplet.h>

Public Functions

Droplet(AtomArray &atomArray)

~Droplet()

void setContext(AtomArray &atomArray)

void fillOne(Atom &atom)

void fill(AtomArray &atomArray)

void convertUnits()

void createHists()

void createCanvas()

void plotDensity(char *filename)

double getMass()

double getMass1D()

void reset()

void findMonolayer()

void dropletCalculations()

Public Members

CircularBulk bulk

Monolayer monolayer

Options options

SimData *simDataPtr

AtomArray *atomArrayPtr

TH2D *hDroplet

TH1D *hLiquidDens

TCanvas *cDroplet

double rDensCyl

struct monolayerTracker

#include <Droplet.h>

Public Members

int numMonoIDs

int *id

int *monoIDs

AtomArray monoAtoms