NanoShaper  0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
ExternalSurface Class Reference

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>

Inheritance diagram for ExternalSurface:
Surface

List of all members.

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 ()

Detailed Description

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.

Author:
Sergio Decherchi
Date:
29/10/2011

Constructor & Destructor Documentation

ExternalSurface::ExternalSurface ( )

Default constructor

ExternalSurface::ExternalSurface ( DelPhiShared ds)

set DelPhi environment

ExternalSurface::ExternalSurface ( ConfigFile *  cf,
DelPhiShared ds 
)

set configuration and DelPhi environment


Member Function Documentation

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.


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