|
Allink
v0.1
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Reads and elaborates a system of chains. More...
#include <VarData.h>
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. | |
| bool Open | ( | char * | InFile, |
| int | BF | ||
| ) |
Open the.
| 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.
| 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.
| 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.
| 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
| How |
Definition at line 24 of file VarDataEl.cpp.
| void VolumeCircSlab | ( | double * | VolContr, |
| int | NSample | ||
| ) |
Fill an array of.
| 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.
| 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().
1.8.11