NanoShaper
0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
|
This class is wrapper and loads an external surface using the files epsmapx.txt, epsmapy.txt, epsmapz.txt, status.txt and projections.txt that is the list of the boundary grid points indexes,values and normals. More...
#include <ExternalSurface.h>
Public Member Functions | |
ExternalSurface () | |
ExternalSurface (DelPhiShared *ds) | |
ExternalSurface (ConfigFile *cf, DelPhiShared *ds) | |
virtual bool | build () |
virtual bool | save (char *fileName) |
virtual bool | load (char *fileName) |
virtual bool | getSurf (bool fill=false, double vol=0) |
virtual void | printSummary () |
virtual bool | getProjection (double p[3], double *proj1, double *proj2, double *proj3, double *normal1, double *normal2, double *normal3) |
virtual void | getRayIntersection (double p1[3], double p2[3], vector< pair< double, double * > > &intersections, int thdID, bool computeNormals) |
virtual void | getLocalArea (double gridPoint[3], double *area) |
virtual double | getSurfaceArea () |
virtual double | getVolume () |
virtual void | init () |
virtual void | init (ConfigFile *cf) |
virtual void | clear () |
This class is wrapper and loads an external surface using the files epsmapx.txt, epsmapy.txt, epsmapz.txt, status.txt and projections.txt that is the list of the boundary grid points indexes,values and normals.
ExternalSurface::ExternalSurface | ( | ) |
Default constructor
ExternalSurface::ExternalSurface | ( | DelPhiShared * | ds | ) |
set DelPhi environment
ExternalSurface::ExternalSurface | ( | ConfigFile * | cf, |
DelPhiShared * | ds | ||
) |
set configuration and DelPhi environment
bool ExternalSurface::build | ( | ) | [virtual] |
Do nothing
Implements Surface.
void ExternalSurface::clear | ( | ) | [virtual] |
function for the denstructor
Implements Surface.
void ExternalSurface::getLocalArea | ( | double | gridPoint[3], |
double * | area | ||
) | [virtual] |
Do nothing
bool ExternalSurface::getProjection | ( | double | p[3], |
double * | proj1, | ||
double * | proj2, | ||
double * | proj3, | ||
double * | normal1, | ||
double * | normal2, | ||
double * | normal3 | ||
) | [virtual] |
Do nothing
Implements Surface.
void ExternalSurface::getRayIntersection | ( | double | p1[3], |
double | p2[3], | ||
vector< pair< double, double * > > & | intersections, | ||
int | thdID, | ||
bool | computeNormals | ||
) | [inline, virtual] |
Do nothing
Implements Surface.
bool ExternalSurface::getSurf | ( | bool | fill = false , |
double | vol = 0 |
||
) | [virtual] |
Load the external surface and perform cavity detection if requested
TODO salt for now not supported, always false
Reimplemented from Surface.
double ExternalSurface::getSurfaceArea | ( | ) | [virtual] |
Do nothing
double ExternalSurface::getVolume | ( | ) | [virtual] |
Approximate the volume by summing the inner boxes of the grid plus the partial volumes of the boundary boxes.
Reimplemented from Surface.
void ExternalSurface::init | ( | ) | [virtual] |
function for the constructor without arguments
Implements Surface.
void ExternalSurface::init | ( | ConfigFile * | cf | ) | [virtual] |
functions for the constructor with config file argument
Implements Surface.
bool ExternalSurface::load | ( | char * | fileName | ) | [virtual] |
Do nothing
Implements Surface.
void ExternalSurface::printSummary | ( | ) | [virtual] |
Print number of boundary grid points
Implements Surface.
bool ExternalSurface::save | ( | char * | fileName | ) | [virtual] |
Save the epsmaps and projections in a simple ascii format
Implements Surface.