NanoShaper
0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
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accurateTriangulation (defined in Surface) | Surface | [protected] |
activeCubes | Surface | [protected] |
allocIntersectionsMatrices() | Surface | [protected] |
allocNormalsMatrices() | Surface | [protected] |
applyMultidielectric() | Surface | [protected] |
approximateNormals(vector< int > &appNormals, bool doOnlyList) | Surface | [protected] |
backupStatus() | Surface | |
bgp_type | Surface | [protected] |
build() | FVanDerWaalsSurface | [virtual] |
buildAtomsMap() | Surface | [protected] |
buildSternLayer() | Surface | [protected] |
cav2out() | Surface | [virtual] |
checkDuplicatedVertices | Surface | [protected] |
classifyCube(double *vertexValues, double isolevel) | Surface | [inline, protected] |
clear() | FVanDerWaalsSurface | [virtual] |
computeNormals (defined in Surface) | Surface | [protected] |
deduceFormat() | Surface | [protected] |
delphi (defined in Surface) | Surface | [protected] |
delta_accurate_triangulation (defined in Surface) | Surface | [protected] |
difference(Surface *) | Surface | |
disposeAtomsMap() | Surface | [protected] |
fillCavities(double vol=0, bool silent=false) | Surface | [virtual] |
fillCavitiesFlag (defined in Surface) | Surface | [protected] |
filterCavities(bool modStatus=false) | Surface | [virtual] |
floodFill(int ix, int iy, int iz, int idold, int idnew) | Surface | [protected] |
floodFill2(int ix, int iy, int iz, int idold, int idnew) | Surface | [protected] |
floodFill3(pair< pair< int, int >, int > ind, pair< int, int > z_limits, pair< int, int > old_new, pair< queue< pair< pair< int, int >, int > > *, queue< pair< pair< int, int >, int > > * > queues, queue< pair< pair< int, int >, int > > *in_queue) | Surface | [protected] |
floodFill4(int ix, int iy, int iz, int idold, int idnew) | Surface | [protected] |
FVanDerWaalsSurface() | FVanDerWaalsSurface | |
FVanDerWaalsSurface(DelPhiShared *ds) | FVanDerWaalsSurface | |
FVanDerWaalsSurface(ConfigFile *cf, DelPhiShared *ds) | FVanDerWaalsSurface | |
getArea() | Surface | [virtual] |
getCavities(int idStart=STATUS_POINT_TEMPORARY_OUT) | Surface | [virtual] |
getCavitiesAtoms() | Surface | |
getCheckDuplicatedVertices() (defined in Surface) | Surface | [inline] |
getComputeNormals() (defined in Surface) | Surface | [inline] |
getInsideCode() (defined in Surface) | Surface | [inline, virtual] |
getInsidness(int i, int j, int k, int vertInd) | Surface | [protected] |
getKeepWellShapedCavities() (defined in Surface) | Surface | [inline] |
getLoadBalancing() (defined in Surface) | Surface | [inline, virtual] |
getNumTriangles() (defined in Surface) | Surface | [inline, virtual] |
getNumVertices() (defined in Surface) | Surface | [inline, virtual] |
getProbeRadius() (defined in Surface) | Surface | [inline, virtual] |
getProjBGP() (defined in Surface) | Surface | [inline] |
getProjection(double p[3], double *proj1, double *proj2, double *proj3, double *normal1, double *normal2, double *normal3) | FVanDerWaalsSurface | [virtual] |
getRandDisplacement() (defined in Surface) | Surface | [inline, virtual] |
getRayIntersection(double p1[3], double p2[3], vector< pair< double, double * > > &intersections, int thdID, bool computeNormals) | FVanDerWaalsSurface | [virtual] |
getSaveMSMS() (defined in Surface) | Surface | [inline] |
getSavePovRay() (defined in FVanDerWaalsSurface) | FVanDerWaalsSurface | [inline] |
getSternLayer() (defined in Surface) | Surface | [inline] |
getSurf(bool fill=false, double vol=0) | Surface | [virtual] |
getTriangles(double *vertexValues, double **vertexPos, double isolevel, int **triangles, int ix, int iy, int iz, int NX, int NY, int NZ) | Surface | [inline, protected] |
getTriangulationFlag() (defined in Surface) | Surface | [inline] |
getVertexAtomsMap() (defined in Surface) | Surface | [inline] |
getVertices(double isolevel, int start_z, int end_z, int jump, vector< coordVec > *, vector< double * > *) | Surface | [inline, protected] |
getVolume() | Surface | [virtual] |
ggrid (defined in Surface) | Surface | [protected] |
gridLoad | Surface | [protected] |
gridMultiMap | Surface | [protected] |
gscale (defined in Surface) | Surface | [protected] |
gside (defined in Surface) | Surface | [protected] |
gxmin (defined in Surface) | Surface | [protected] |
gymin (defined in Surface) | Surface | [protected] |
gzmin (defined in Surface) | Surface | [protected] |
init() | FVanDerWaalsSurface | [virtual] |
init(ConfigFile *cf) | FVanDerWaalsSurface | [virtual] |
innerFloodFill(int *start, int *target, short *status1, short *status2, int &maxMoves, bool debug) | Surface | [protected] |
inside | Surface | [protected] |
intersectionsMatrixAlongX | Surface | [protected] |
intersectionsMatrixAlongY | Surface | [protected] |
intersectionsMatrixAlongZ | Surface | [protected] |
intersector(double *volPanel, int nb, int start, int end, int jump, int *numIntersections, packet pack) | Surface | [protected] |
isAvailableScalarField (defined in Surface) | Surface | [protected] |
isRCbased | Surface | [protected] |
last_cols_ind (defined in Surface) | Surface | [protected] |
last_nx (defined in Surface) | Surface | [protected] |
last_ny (defined in Surface) | Surface | [protected] |
last_nz (defined in Surface) | Surface | [protected] |
last_rows_ind (defined in Surface) | Surface | [protected] |
linkCavities(short *st1, short *st2) | Surface | |
load(char *fileName) | FVanDerWaalsSurface | [virtual] |
normalsList | Surface | [protected] |
normalsMatrixAlongX | Surface | [protected] |
normalsMatrixAlongY | Surface | [protected] |
normalsMatrixAlongZ | Surface | [protected] |
operator-=(Surface &surf2) | Surface | |
panel (defined in Surface) | Surface | [protected] |
postRayCasting() | FVanDerWaalsSurface | [virtual] |
preBoundaryProjection() | FVanDerWaalsSurface | [virtual] |
preProcessPanel() | FVanDerWaalsSurface | [virtual] |
printSummary() | FVanDerWaalsSurface | [virtual] |
probe_radius | Surface | [protected] |
projBGP (defined in Surface) | Surface | [protected] |
projector(int start, int end) | Surface | [protected] |
providesAnalyticalNormals | Surface | [protected] |
randDisplacement | Surface | [protected] |
removeBackupStatus() | Surface | |
save(char *fileName) | FVanDerWaalsSurface | [virtual] |
saveMesh(int format, bool revert, const char *fileName) | Surface | [virtual] |
saveMSMS (defined in Surface) | Surface | [protected] |
scalarField (defined in Surface) | Surface | [protected] |
setCheckDuplicatedVertices(bool cd) (defined in Surface) | Surface | [inline] |
setComputeNormals(bool cn) (defined in Surface) | Surface | [inline] |
setInsideCode(int i) (defined in Surface) | Surface | [inline, virtual] |
setKeepWellShapedCavities(bool kwsc) (defined in Surface) | Surface | [inline] |
setLoadBalancing(bool doLoadBalancing) (defined in Surface) | Surface | [inline, virtual] |
setProbeRadius(double probeRadius) (defined in Surface) | Surface | [inline, virtual] |
setProjBGP(bool flag) | Surface | [inline] |
setRandDisplacement(const double r) (defined in Surface) | Surface | [inline, virtual] |
setSaveMSMS(bool m) (defined in Surface) | Surface | [inline] |
setSavePovRay(bool ss) (defined in FVanDerWaalsSurface) | FVanDerWaalsSurface | [inline] |
setSternLayer(double l) (defined in Surface) | Surface | [inline] |
setTriangulationFlag(bool flag) (defined in Surface) | Surface | [inline] |
setVertexAtomsMap(bool f) (defined in Surface) | Surface | [inline] |
smoothSurface(const char *fn="triangulatedSurf", bool revert=false) | Surface | [virtual] |
sternLayer (defined in Surface) | Surface | [protected] |
Surface() (defined in Surface) | Surface | [protected] |
Surface(ConfigFile *cf) (defined in Surface) | Surface | [protected] |
surfType | Surface | [protected] |
swap2multi(double gxmin, double gymin, double gzmin, double gside, unsigned int ggrid, int *gridMultiMap, int i, int j, int k, int l) | Surface | [protected] |
totalLoad (defined in Surface) | Surface | [protected] |
totalSurfaceArea (defined in Surface) | Surface | [protected] |
totalVolume (defined in Surface) | Surface | [protected] |
tri2Balls() | Surface | |
triangulateSurface(double iso=0.0, const char *fileName="triangulatedSurf", bool revert=false) | Surface | [virtual] |
triangulationKernel(double isolevel, bool revert, int start_z, int end_z, int jump, vector< int * > *localTriList, double *localArea) | Surface | [inline, protected] |
triList | Surface | [protected] |
useLoadBalancing (defined in Surface) | Surface | [protected] |
vdwAccessible(double *p, int &nearest) | Surface | [protected] |
vertexAtomsMap (defined in Surface) | Surface | [protected] |
vertexAtomsMapFlag (defined in Surface) | Surface | [protected] |
vertexInterp(double isolevel, double *p1, double *p2, double valp1, double valp2, double *p) | Surface | [protected] |
verticesInsidenessMap (defined in Surface) | Surface | [protected] |
vertList | Surface | [protected] |
wellShaped | Surface | [protected] |
~FVanDerWaalsSurface() (defined in FVanDerWaalsSurface) | FVanDerWaalsSurface | [virtual] |
~Surface() | Surface | [virtual] |