VarData Class Reference

Reads and elaborates a system of chains. More...

#include <VarData.h>

Inheritance diagram for VarData:

Public Types
typedef double(VarData::*	NANO_DIST) (double *Pos, int n)
	Data type for distance/field functions.

Public Member Functions
	VarData ()
	Set the constants.
	~VarData ()
	Destructor.
void	VarMessage (const char *s,...)
	If enabled call the function position.
bool	Open (char *InFile, int BF)
	Open the. More...
bool	OpenRisk (char *InFile, int BF)
	Opens a file without reallocationg.
bool	OpenTrust (char *InFile, int BF)
	Opens a file checking if the information are correct.
void	AllocPart ()
	Alloc the structures.
void	AllocChain ()
	Alloc the structures.
Properties	SysProperties ()
	Calculate some basis properties.
void	SysInfo (char *cSystem)
	Print a string with the system information.
void	SysDef (char *cSystem)
	Print a string with the system definitions.
char *	SysState ()
	Calculates fundamental quantities.
void	SetCoeff ()
	Set the virial coefficients from the known values of density coex...
void	SetCoeff (double *v2, double *v3)
	Set and normalize the virial coefficients from the arrays v2 and v3.
double	TwoPartDist (int p1, int p2, double *RelDist)
	Return the relative distance between two particles (wrapped)
double	TwoPartDist (double *Pos, int p2, double *RelDist)
	Return the relative distance between two particles (wrapped)
double	TwoPartDist2 (int p1, int p2, double *RelDist)
	Return the relative distance between two particles (wrapped)
double	TwoPartDist2 (double *Pos, int p2, double *RelDist)
	Return the relative distance between two particles (wrapped)
int	TwoPartDist (int p1, int p2, double *RelDist, double CutOff)
	Return the relative distance between two particles (wrapped) if the particles are within the cut off.
int	TwoPartDist (double *Pos, int p2, double *RelDist, double CutOff)
	Return the relative distance between two particles (wrapped) if the particles are within the cut off.
bool	Write (char *OutFile)
	Writes a "system-file" or a "x y z" file".
bool	WriteTxvl (char *OutFile)
	Writes a "system-file" or a "x y z" file".
bool	WriteXvt (char *OutFile)
	Writes a "system-file" or a "x y z" file".
bool	WriteXyz (char *OutFile)
	Writes a "system-file" or a "x y z" file".
void	HeaderInteraction (FILE *FileToWrite)
	Header interactions.
void	StringNano (char *NString, int n)
	String for the rigid inclusion in the header file.
int	HeaderNano (FILE *FileToWrite)
	Write the nano section of the header to the file.
int	HeaderSoft (char *Line)
	Header soft.
void	WriteLinkedSurf (FILE *FWrite, double *Plot, int NSample, int NType, double *Bound, int *PId)
	Write the positions of the egdes of the rectangles.
void	WriteSurf (FILE *F2Write, double **Plot, int NSample, int OffSet)
	Write the particle position as linked edges of squares.
void	ShapeId (int iShape, char *Shape)
	Identifier of the shape.
bool	BackFold (int How)
	Backfold the particle position.
int	BfDefChain ()
	Definition of the chain.
int	BfEdge ()
	Find the box size if missing.
void	DistFromNp ()
	Define the distance form the nanoparticle.
void	ShiftRef (int BackFold)
	Backfold the system wrt the reference position.
int	StalkPos (double *OldPos)
	Find the position of the stalk.
void	BfPep ()
	Backfold the nano described as a cluster of monomers.
void	BackBone (double *Line, int NBin)
	Describe the backbone of a filament.
void	StalkLineProf (double *Line, int NBin)
	Describe the line for a linear stalk.
void	StalkPos2 (double *OldPos, double *CmStalk)
	Find the position of the stalk second method.
void	StalkPos3 (double *OldPos, double *CmStalk)
	Find the position of the stalk third method.
int	StalkPos4 (double *OldPos, double *CmStalk)
	Find the position of the stalk forth method.
double	NormalWeight (VAR_TRIANGLE *Triang, double *Weight, int NGrid, int NTri)
	Weight of the neighblorung normal on a vertex.
void	ConnectLineChain (VAR_LINE *Triang, int NGrid, int NTri)
	Connect the lines in a chain. More...
void	ConnectLineChain2 (VAR_LINE *Triang, int NGrid, int NTri)
	Connect the lines in a chain. More...
void	ConnectLineChain3 (VAR_LINE *Triang, int NGrid, int NTri)
	Connect the lines in a chain. More...
double	PorePos ()
	Find the position of the pore.
int	Fetch (char *str, char *mask, char *fmt,...)
	Retrive from a string the information concerning the mask.
int	BraketPos (char *str, char *mask, int *sPos, int *sLen)
	Retrive from a string the position of the brakets.
int	Fetch (char *str, char *mask, int NArg, double *Val)
	Retrive from a string the information concerning the mask.
bool	ReadString (const char *String, char *cLine, double *Value)
	Copy the value in the. More...
bool	ReadString (const char *String, double *Value, char *line)
	Copy the value in the. More...
bool	ReadString (const char *String, char *cLine, int *Value)
	Copy the value in the. More...
int	ReadVal (char *pLine, double *Value)
	Copy the value in the String to the Value referring to the position of pLine.
int	ReadLineXvt (char *cLine, double *Pos, int *Type)
	Read a single line in format Xvt.
bool	ReadConf (char *InFile)
	Reads a "configuration file".
void	ReadHeader (FILE *FileToRead)
	Reads a header.
void	ReadHeaderTxvl (FILE *FileToRead)
	Reads a header for a txvl file format.
void	ReadHeaderXvt (FILE *FileToRead)
	Reads a header of xvl file format.
int	ReadPart (FILE *FileToRead)
	Reads particle type and position.
int	ReadPartTxvl (FILE *FileToRead)
	Reads a type-position-velocity-link file.
int	ReadPartXvt (FILE *FileToRead)
	Reads a position-velocity-type file.
int	ReadPartXyz (FILE *FileToRead)
	Reads a x y z file.
int	ReadPartXyzt (FILE *FileToRead)
	Reads a x y z t file.
int	ReadPassThru (FILE *FileToRead)
	Reads the information to alloc the structure.
int	ReadSoft (FILE *ConfFile)
	Reads the specifications about the nano.
void	ReadNano (FILE *ConfFile, int NCircle, int NHeight)
	Reads the specifications about the hard object.
int	NanoString (char *cLine, int n)
	Reads and set the specifics of the nano.
void	SubNanoHeader (char *cFile)
	Substitue the nano header.
int	ShapeId (char *Shape)
	Identifier of the shape.
int	DefSoft (char *nome2, char *ConfF)
	Define and write the system as described in the conf file.
int	TrialSys ()
	Creates a trial system.
bool	CreateSoft (int *arch, double Thickness, int s)
	Creates an initial system.
void	CreateTube (int *arch, double Thickness, int s)
	Soft in a tube shape.
void	CreatePlanar (int *arch, double Thickness, int s)
	planar membrane
void	CreateVesicle (int *arch, double Thickness, int s)
	vesicle
void	CreateCoating (int *arch, double Thickness, int s)
	coating around a cylindrical nanoparticle
void	CreateObstacle (int *arch, double Thickness, int s)
	Creates obstacles.
int	CheckNano (double *Pos, int s)
	No particle inside the nano.
void	AddProtein (int NCircle, int NHeight, int nNano, char *filename)
	Defines the nanoparticle as a net of monomers.
void	CreateProtein (int nNano, int nStart)
	Defines the nanoparticle as a net of monomers.
void	AddStuffing (char *filename, int nStuffing, int nNano)
	Fill the protein with water.
void	AddSolvent (char *filename, int nWater)
	Add phantom solvent at the bottom.
void	AddChains (char *filename, double Thickness)
	Add homopolymer chains in the bilayer.
void	AddCholesterol (char *filename, double Thickness, int s)
	Add cholesterol chains in the bilayer.
void	DefBlock (int *NChStep, int How)
	Define four different blocks.
void	DefRest (int *arch, int s)
	set the remaining information
int	PutPart (int j, int p, int HalfLim, double sigma)
	return the number in the chain of the next particle put
void	FindNeighbours (char *FileName)
	Find the couples of most neighbouring chains.
void	SwapChain (int c1, int c2, int b)
	Swap two chains.
void	SwapChain (int c1, int c2)
	Swap two cahins.
void	SwapPart (int p1, int p2)
	Swap two particle.
void	ChangeNChain (int NChain, int b)
	Update the new number of chains.
bool	ShiftSys (int How)
	Shift the system accordin to the SHIFT_ definitions.
void	SampleSurface (double *Plot, int NSample, int Type)
	Define a normal coordinate for every patch.
MOMENTI	SampleSurfacePart (double *Plot, int NSample, int Type)
	Define a normal coordinate for every patch.
MOMENTI	SampleSurface (Matrice *Plot, int NSample, int Type)
	Define a normal coordinate for every patch.
MOMENTI	SampleSurfaceMem (int NSample)
	Allocate and fill PlotMem with the particle average position.
void	LoadDensFile (double **Plot, int NBin)
	Load in the array Plot the density of the system.
int	SpatialDerivative (Matrice *Surface, Matrice *Resp, SPLINE Weight, int NSample)
	Perform a spatial derivative on a surface.
void	ShiftBlock (Vettore *Shift, int b)
	Shift a block wrt to Shift.
void	RotateBlock (Vettore *Axis, Vettore *Origin, int b)
	Rotate a block wrt to the Axis from the Origin.
void	MirrorBlock (Vettore *Px1, Vettore *Px2, Vettore *Px3, int b)
	Mirror the position wrt to a plane.
void	Transform (int block)
	Transform a block.
void	Point2Shape (int iShape)
	Point to the shape function.
double	NanoDist2 (double *Pos, int n)
	Pointer to a generic function.
double	NanoDist2 (double x, double y, double z, int n)
	Distance from the nanoparticle.
double	FieldNo (double *Pos, int n)
	No field.
double	FieldSphere (double *Pos, int n)
	Scalar field of a sphere.
double	FieldElips (double *Pos, int n)
	Scalar field of a elipsoid.
double	FieldParab (double *Pos, int n)
	Scalar field of a elipsoid.
double	FieldCyl (double *Pos, int n)
	Scalar field of a cylinder.
double	FieldTransMem (double *Pos, int n)
	Scalar field of a transmembrane protein.
double	FieldJanus (double *Pos, int n)
	Scalar field of a janus peptide.
double	FieldTorus (double *Pos, int n)
	Scalar field of a janus peptide.
double	FieldTilt (double *Pos, int n)
	Scalar field of a tilted cylinder.
double	FieldBound (double *Pos, int n)
	Scalar field of a hard wall at the box edges.
double	FieldTiltWall (double *Pos, int n)
	Scalar field of a tilted cylinder.
int	PairCorrelation (double *Point, int NSample, int How, int Type)
	1-d pair correlation
int	PairCorrelationRound (double **Point, int NSample, int Type)
	Circular 2-d pair correlation.
int	PairCorrelationSquare (double **Point, int NSample, int Type)
	2-d pair correlation on a square
int	PairCorrelationPep (double **Point, int NSample, int Type)
	2-d pair correlation on a square fererring to the pep position
int	Scattering2d (double **Point, int NSample, int Type)
	2-d Scattering
int	Scattering2D (double **Point, int NSample, int Type)
	2-d scattering
void	Spettro2d (double *Points, int NSample, int Type)
	1-d spectrum of a surface
void	Spettro2d (double *Plot, int NSample)
	2-d spectrum of a sirface
int	DensityProfile (int coord, int NSample, int NType, double *dDensity)
	Calculate the density profile for the x, y, z, r coordinate. More...
int	Core (double ***Plot, int NSample, double Border[3][2])
	Sampled three dimentional weighted shape of the system.
int	RadDistr (int NSample, double *Plot, double Border[2], int How)
	rzd representation of the system referring to More...
int	Worm (int Partition, int NSample, double *Border, double *dPoint)
	Density profile along a worm like micelle.
void	VolumeCircSlab (double *VolContr, int NSample)
	Fill an array of. More...
void	Stalk (int NSample, int NLevel, double **Plot, double Threshold)
	Following the contour of a stalk.
int	Arrange (int **Triangle, int Vertex)
	The naerest. More...
int	Folding ()
	Boh...
int	OrderPos ()
	A cell list to be fixed.
int	CalcnPos (double *Pos)
	return a univocal index of the chain position
int	Neighbour (double *Pos)
	Boh.
int	NChainPSquare (double *Plot)
	Distribution of number of chain per patch.
int	LateralFluctuation (double *Plot, int LatValue)
	Boh.
int	Voronoi ()
	Voronoi tassellation.
int	PosVectInt (double *Pos)
	Return the integer index with respect to the partition NSquare.
int	InterParab (PART *PmIn, PART *PmOut, int NIn, int nOut)
	Discontinous parabolas.
int	InterParab2 (PART *PmIn, PART *PmOut, int NIn, int NOut)
	Discontinous parabolas.
int	InterCubica (PART *PmIn, PART *PmOut, int NIn, int NOut)
	Discontinous cubic.
int	InterForth (PART *PmIn, PART *PmOut, int NIn, int NOut)
	Discontinous forth degree.
int	InterSpline3 (PART *PmIn, PART *PmOut, int NIn, int NOut)
	third order spline
int	InterSpline4 (PART *PmIn, PART *PmOut, int NIn, int NOut)
	forth order spline
int	InterBSpline (PART *PmIn, PART *PmOut, int NIn, int NOut)
	BSpline.
int	InterBSpline2D (double **PlIn, double **PmOut, int NIn, int NOut)
	2-d BSpline
int	InterBSpline2D (double *PlIn, double *PmOut, int NIn, int NOut)
	2-d BSpline More...
int	InterBSpline1D (double *PlIn, double *PmOut, int NIn, int NOut)
	1-d BSpline
int	InterPoly (PART *PmIn, PART *PmOut, int NIn, int nOut)
	NIn-polynomian.
int	InterDerMatrix (PART *Pm, int NMass, SPLINE Weight, double Offset)
	Boh.
void	SmoothGrid (int NSample, char *FWrite)
	Smooth a grid with BSplines.
void	SmoothGrid (int NSample)
	Smooth a grid with BSplines and update the particle positions. More...
void	ConvoluteMatrix (double *Plot, int NGrid, Matrice *Mask, int NDim)
	Convolute a matrix.
void	ConvoluteMatrix1 (double *Plot, int NGrid, Matrice *Mask)
	Convolute a matrix 1d.
void	ConvoluteMatrix2 (double *Plot, int NGrid, Matrice *Mask)
	Convolute a matrix 2d.
void	ConvoluteMatrix3 (double *Plot, int NGrid, Matrice *Mask)
	Convolute a matrix 3d.
int	SetNPart (int NewNPart)
	Set and reallocate the number of particles.
int	SetNChain (int NewNCh)
	Set and reallocate the number of chains.
int	SetNLink (int NewNCh)
	Set and reallocate the number of links.
void	SetNPCh (int NewNCh)
	Set and reallocate the number of particles per chains.
void	SetNType (int NewNType)
	Set the number of species.
int	AllocLinks (int NewNCh)
	(re)allocate the links
int	SetNBlock (int Val)
	Set NBlock.
int	SetNNano (int Val)
	Set NNano.
void	Copy (PART *P1, PART *P2, int NPartOld)
	Copy the part P2 on part P1.
void	Copy (CHAIN *C1, CHAIN *C2, int NChainOld)
	Copy the chain C2 on chain C1.
VAR_TRIANGLE *	MarchingCubes (double *Plot, int NSample, double IsoLevel, int *NTri)
	Defines the triangles close to the IsoLevel of the 3d density Plot.
VAR_LINE *	MarchingSquares (double *Plot, int NSample, double IsoLevel, int *NTri)
	Defines the triangles close to the IsoLevel of the 3d density Plot.
void	AreaDistr (double *Distr, double *RadDistr, int NSample)
	Calculate the (temporal/radial) area distribution.
double	pTime ()
	Total time.
double	pDeltat ()
	Delta t.
double	pTemp ()
	Temperature.
double	pBeta ()
	Beta factor 1/kTB.
double	pEnergy (int d)
	Pot, kinetik, free.
double	pEdge (int d)
	xyzr edges of the simulation box
double	pInvEdge (int d)
	Inverted xyzr edges of the simulation box.
double	pVol ()
	xyzr edges of the simulation box
double	pCm (int d)
	Center of mass of the system.
double	pVelMax (int d)
	Maximum velocity.
double	pchiN ()
	Incompatibility.
double	pkappaN ()
	Incompressibility.
double	pkBen ()
	Bending coupling.
double	pkSpr ()
	Spring coupling.
void	SetkBen (double Val)
	Bending coupling.
void	SetkSpr (double Val)
	Spring coupling.
void	SetSprRest (double Val)
	Rest distance of the harmonic potential.
double	pSprRest ()
	Rest distance of the harmonic potential.
double	prho ()
	Density coexistence.
double	pReOverCutOff ()
	Re/CutOff.
double	pWei2Par ()
	Parameter of the second order weighting function.
double	pWei3Par ()
	Parameter of the third order weighting function.
int	pStep ()
	Number of steps.
int	pNPart ()
	Number of particle.
int	pNChain ()
	Number of chain.
int	pNChain (int b)
	Number of chain.
int	pNPCh ()
	Number of particle per chain.
int	pNPCh (int c)
	Number of particle per chain.
int	pNType ()
	of types of the particle
int	pNLink ()
	Maximum number of bonds.
int	pNNano ()
	Number of nanoparticles.
int	pNBlock ()
	Number of blocks.
int	pNAllocP ()
	Allocated number of particles.
int	pNAllocC ()
	Allocated number of chains.
void	SetEdge (double Val, int d)
	Set Edge.
void	SetCNorm (int d)
	Set Edge.
void	SetScaleF (double *Scale)
	Set scale factor.
void	SetShiftPos (double *RefPos)
	Set reference pos.
void	SetIfNormalize (int If)
void	SetDeltat (double Val)
	Set DeltaT.
void	SetStep (int Val)
	Set Step.
void	SetTemp (double Val)
	Set Temperature.
void	SetTime (double Val)
	Set Time.
void	IncrStep ()
	Increment Step.
double	pPos (int p, int d)
	Return back folded position.
double	pChPos (int p, int d)
	Return back folded position.
void	pPos (int p, double *Pos)
	Return back folded position.
double *	pPos (int p)
	Print the particle position.
double	pPosNoBkf (int p, int d)
	Return the velocity.
double	pVel (int p, int d)
	Return the velocity.
void	SetPos (int p, double *Pos)
	Set the particle position.
void	SetPos (int p, int d, double Pos)
	Set the particle position.
void	SetVel (int p, double *Vel)
	Set the particle velocity.
void	SetType (int p, int t)
	Set the particle type.
int	pType (int p)
	Return the type.
int	pChain (int p)
	Return the chain.
double	pNanoPos (int n, int d)
	Return back folded nano position.
void	SetBkf (int p)
	Set the back folded array for the particle p.
void	SetNanoBkf (int n)
	Set the back folded array for the nano n.
void	pPos (double *Pos)
	Print a position.

Public Attributes
Matematica *	Mat
	Implementation of all usefull algorythms.
MatInt *	MInt
	Matrix of the prefactor of the interactions.
NANO_DIST	Nano_Dist
	Pointer to a distance/field function.
char	cWhat2Draw [STRSIZE]
	What to draw.
NANO *	Nano
	Extra particle.
PART *	Pm
	Particle information of all particle.
LINKS *	Ln
	Array of linking between the particles.
CHAIN *	Ch
	Information on all chains.
SOFT *	Soft
	Soft bodies.
BLOCK *	Block
	Information for every block.
double *	PlotMem
	Particle position/density on the square lattice.
double	ShiftPos [3]
	Reference position.
double	ScaleF [3]
	Scale factor.
int	NSoft
	Number of soft bodies.
int	NPartNearSphere
	Number of particle to be considered in the radial density profile.
int	NAddChain
	Additional homopolymer chains into the membrane.
int	NAddChol
	Additional cholesterol chains into the membrane.
int	NSolvent
	Solvent molecules.
int	NStuffing
	Stuffing for the cylinder.
int	CNorm
	Normal coordinate.
int	CLat1
	lateral coordinate
int	CLat2
	lateral coordinate
int	NChType
	Type of chain selected.
int	NPType
	Type of particle selected.
int	NEdge
	Number of particles per edge.
int	SysType
	Contains the definition of the system.
int	SysFormat
	Contains the definition of the file format.
int	SysCreate
	Contains the information for the creation.
int	IfNormalize
	If normalize the lateral dimensions to one.
int	IfPlotMem
	If PlotMem is allocated and filled.

Detailed Description

Reads and elaborates a system of chains.

Definition at line 521 of file VarData.h.

Member Function Documentation

bool Open	(	char *	InFile,
		int	BF
	)

Open the.

Parameters

InFile

and back fold

Definition at line 105 of file VarData.cpp.

References GENERAL::Edge, GENERAL::NType, ReadHeader(), ReadPart(), ReadPassThru(), ShiftRef(), SysType, and VarMessage().

Referenced by ElPoly::Diff2Files(), Forces::Forces(), ElPoly::OpenFile(), ElPoly::PressTrace(), ElPoly::Prova(), ElPoly::RadNormPos(), Forces::ReOpen(), ElPoly::Shift2Center(), ElPoly::StalkLineProfF(), ElPoly::SumTens(), ElPoly::SurfTens(), and ElPoly::Tens2dCartRad().

void ConnectLineChain	(	VAR_LINE *	Triang,
		int	NGrid,
		int	NTri
	)

Connect the lines in a chain.

Algorithm to connect al the vertices in a single chain, many weird cases are not covered.

Definition at line 981 of file VarDataBackFold.cpp.

References DdLinkedList::AddPart(), CLat1, CLat2, GENERAL::Edge, DdLinkedList::IfCurr(), LINKS::Link, Ln, DdLinkedList::NextCurr(), DomDecBasics::p2Curr, pCm(), pEdge(), Pm, pNPart(), PART::Pos, DdLinkedList::SetCurr(), and SetNPart().

Referenced by ElPoly::IsoLine().

void ConnectLineChain2	(	VAR_LINE *	Triang,
		int	NGrid,
		int	NTri
	)

Connect the lines in a chain.

Algorithm to connect al the vertices in a single chain, many weird cases are not coverd.

Definition at line 1180 of file VarDataBackFold.cpp.

References NeiVertex::Add(), Ch, PART::CId, CHAIN::EndBead, NeiVertex::IfItCell(), NeiVertex::IncrCurr(), CHAIN::InitBead, LINKS::Link, Ln, LINKS::NLink, CHAIN::NPCh, pEdge(), Pm, pNChain(), pNPart(), NeiVertex::Reorder(), NeiVertex::SetCounters(), SetNChain(), SetNPart(), NeiVertex::TriaCurr(), and VAR_LINE::v.

void ConnectLineChain3	(	VAR_LINE *	Triang,
		int	NGrid,
		int	NTri
	)

Connect the lines in a chain.

Algorithm to connect al the vertices in a single chain.

Definition at line 1036 of file VarDataBackFold.cpp.

References DdLinkedList::AddPart(), PART::CId, DdLinkedList::Dist2Curr(), GENERAL::Edge, DdLinkedList::IfCurr(), LINKS::Link, Ln, DdLinkedList::NextCurr(), LINKS::NLink, DomDecBasics::p2Curr, pEdge(), Pm, pNPart(), DdLinkedList::SetCurr(), SetNChain(), SetNPart(), and SwapPart().

bool ReadString	(	const char *	String,
		char *	cLine,
		double *	Value
	)

Copy the value in the.

Parameters

String	to the
Value

Definition at line 29 of file VarDataString.cpp.

Referenced by ReadConf().

bool ReadString	(	const char *	String,
		double *	Value,
		char *	line
	)

Copy the value in the.

Parameters

String	to the
Value

Definition at line 77 of file VarDataString.cpp.

bool ReadString	(	const char *	String,
		char *	cLine,
		int *	Value
	)

Copy the value in the.

Parameters

String	to the
Value

int DensityProfile	(	int	coord,
		int	NSample,
		int	NType,
		double *	dDensity
	)

Calculate the density profile for the x, y, z, r coordinate.

sum on small patches and shift the wrt the weighted average

Definition at line 24 of file VarDataContour.cpp.

References BfDefChain(), Block, Ch, CLat1, CLat2, CNorm, GENERAL::Edge, BLOCK::EndIdx, GENERAL::NBlock, Pm, and PART::Typ.

int RadDistr	(	int	NSample,
		double *	Plot,
		double	Border[2],
		int	How
	)

rzd representation of the system referring to

Parameters

How

Definition at line 24 of file VarDataEl.cpp.

void VolumeCircSlab	(	double *	VolContr,
		int	NSample
	)

Fill an array of.

Parameters

NSample

values with the volume contribution in a rectangular box

Definition at line 75 of file VarDataProfile.cpp.

References CLat1, CLat2, CNorm, GENERAL::Edge, and pEdge().

Referenced by ElPoly::AreaDistrF(), ElPoly::BondDistr(), ElPoly::DensProf(), ElPoly::DensProfNormalSlab(), ElPoly::NanoParticle(), ElPoly::PressRadial(), ElPoly::RadDistrF(), ElPoly::SplayDistr(), ElPoly::SurfTens(), and Forces::WriteTens2d().

int Arrange	(	int **	Triangle,
		int	Vertex
	)

The naerest.

Parameters

Vertex

-particle close to every chain

Definition at line 24 of file VarDataPos.cpp.

References BfDefChain(), Ch, CLat1, CLat2, GENERAL::Edge, GENERAL::NChain, NChType, and CHAIN::Pos.

int InterBSpline2D	(	double *	PlIn,
		double *	PmOut,
		int	NIn,
		int	NOut
	)

2-d BSpline

Perform a 2d BSpline interpolation on two square arrays.

Definition at line 424 of file VarDataInterp.cpp.

References Matematica::Blend(), CLat1, GENERAL::Edge, and Mat.

void SmoothGrid

(

int

NSample

)

Smooth a grid with BSplines and update the particle positions.

Call InterBSpline2d to update the particle position;.

Definition at line 401 of file VarDataInterp.cpp.

References InterBSpline2D(), Pm, PART::Pos, and pType().

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

• include/VarData.h
• src/VarData/VarData.cpp
• src/VarData/VarDataBackFold.cpp
• src/VarData/VarDataCGAL.cpp
• src/VarData/VarDataComm.cpp
• src/VarData/VarDataContour.cpp
• src/VarData/VarDataCreate.cpp
• src/VarData/VarDataEl.cpp
• src/VarData/VarDataExp.cpp
• src/VarData/VarDataInterp.cpp
• src/VarData/VarDataMarchCubes.cpp
• src/VarData/VarDataPos.cpp
• src/VarData/VarDataProfile.cpp
• src/VarData/VarDataRead.cpp
• src/VarData/VarDataString.cpp
• src/VarData/VarDataWrite.cpp