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glsurface.h
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rLAMMPS lammps
glsurface.h
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/***************************************************************************
glsurface.h
W. Michael Brown
-------------------
Store and manipulate surfaces as OpenGL primitives
begin : Sun Jun 8 2003
copyright : (C) 2003 by W. Michael Brown
email : wmbrown@sandia.gov
***************************************************************************/
#ifndef GLSURFACE_H
#define GLSURFACE_H
#include "miscm.h"
#include "cartesian.h"
#include "colors.h"
//#include "gridnum.h"
#include <vector>
#include <algorithm>
#include <fstream>
using namespace std;
/// Stores the ID numbers of the vertices making a triangle
struct Triangle {
/// Triangle position
unsigned point[3];
};
/// Vertex information used for all primitives
struct Vertex {
/// True if normal is being set for vertex
bool valid_normal;
/// Cartesian coords
cPt cpt;
// Used for surface area calculations
vectorPt normal;
/// Color
colorPt color;
/// For coloring surface
char marker;
/// For transparency (0 transparent, 1 opaque)
double transparency;
};
/// ID numbers for vertices making a line
struct GLline {
unsigned points[2];
};
// This stuff is used for removing duplicate lines by sorting;
bool operator < (const GLline &one, const GLline &two);
bool operator == (const GLline &one, const GLline &two);
/// Line Strip (loop) primitive (stores vertex indices)
struct LineStrip {
/// True for loop, false for line_strip
bool loop;
vector<unsigned> line;
};
/// Sphere primitive
struct Sphere {
unsigned i;
double radius;
};
/// Class for storage and I/O of a set of OpenGL primitives
class GLSurface {
public:
GLSurface();
~GLSurface();
/// Reserve vector space for specified number of vertices and triangles
void reserve(unsigned num_v, unsigned num_t);
/// Delete all primitives
void clear();
/// Add a triangle
void addtriangle(Triangle &t);
/// Add a vertex
void addvertex(Vertex &v);
/// Add many triangles (via swap)
/** \note triangles are removed from input vector */
void addtriangles(vector<Triangle> &t);
/// Add many lines (via swap)
/** \note lines are removed from input vector */
void addlinestrips(vector<LineStrip> &l);
/// Add a mesh (via swap)
/** \note lines are removed from input vector */
void addxyzmesh(vector<GLline> &x,vector<GLline> &y,vector<GLline> &z);
/// Add a line
void addline(unsigned v1, unsigned v2);
/// Add a sphere based on a current vertex and a radius
void add_sphere(unsigned index, double radius) {
Sphere s;
s.i=index;
s.radius=radius;
spheres.push_back(s);
}
/// Add an ellipsoid with specified resolution
/** The number of triangles is equal to twice the resolution squared **/
void add_ellipsoid(const cPt ¢er, const cPt &rad,
const Quaternion &rot, const colorPt &color,
const double alpha,const unsigned resolution);
/// Add an ellipsoid with resolution of 10
/** \sa add_ellipsoid **/
void add_ellipsoid(const cPt ¢er, const cPt &rad,
const Quaternion &rot, const colorPt &color,
const double alpha);
/// Calculate the unit normals for any vertices marked with invalid normals
void calculatenormals();
/// Normalize normals.
void normalize();
/// Flip normals
void flipnormals();
/// Calculate the Area of the Surface
double surfacearea();
/// Calculate the Area of a Triangle
double triarea(Triangle &t);
/// Return the number of spheres
unsigned size_spheres() { return spheres.size(); }
/// Return the number of vertices
unsigned size_vertices() { return vertices.size(); }
/// Solid color a surface
void color(const colorPt &color);
/// Color a surface by using a gradient
void colorbygradient(const colorPt &start, const colorPt &end);
/// Color a surface based on a marker
void colorbymarker(const colorPt &zero, const colorPt &nonzero);
/// Color a surface based on interpolation of values on a grid
/** \param grid Grid with appropriate interpolation scheme set
* \param neg Color for the value at and below minv
* \param mid Color for the value at midv
* \param pos Color for the value at and above posv **/
//void colorbygrid(GridNUM<double> &grid,const colorPt &neg,
// const colorPt &mid, const colorPt &pos, double minv,
// double midv, double maxv);
/// Set the transparency of the entire surface (0-1 [1=no transparency])
void set_transparency(double alpha);
/// Write out triangles as BEGIN,TRIANGLES,END primitives
void writetris(ofstream &out, const string &objname);
/// Write out triangles as TRIANGLE primitives
void writetris_surf(ofstream &out, const string &objname);
/// Write out triangles as POINTS
void writetris_points(ofstream &out, const string &objname);
/// Write out vertices as spheres
void write_vspheres(ofstream &out, const string &objname, double radius);
/// Write out triangles as Mesh
void writetris_mesh(ofstream &out, const string &objname);
/// Write out triangles as an xyzmesh
void writexyzmesh(ofstream &out,const string &objname);
void writelines(ofstream &out, const string &objname);
void writelines(vector<GLline> &l, ofstream &out, const string &objname);
/// Write out Line Strips (Loops)
void writelinestrips(ofstream &out, const string &objname);
void writespheres(ofstream &out, const string &objname);
/// Write header for Python scripts for rendering in PyMol
void writepymolheader(ofstream &out);
/// Write tail for Python script for rendering in Pymol
void writepymoltail(ofstream &out, const string &objname);
private:
vector<Triangle> triangles;
vector<Vertex> vertices;
vector<GLline> gllines;
vector<Sphere> spheres;
// For xyzmesh
vector<GLline> xmesh;
vector<GLline> ymesh;
vector<GLline> zmesh;
vector<LineStrip> linestrips;
void add_super_ellipsoid(const cPt &cen, const cPt &rad,const Quaternion &q,
const double n, const double e, const double u1,
const double u2, const double v1, const double v2,
const unsigned u_segs, const unsigned v_segs,
const colorPt &color, const double alpha);
void SQE_helper(Vertex &ver, const cPt &rad, const double u,
const double v, const double n, const double e);
};
#endif
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