src/opengl/TargetStructGL.cc

#if __linux
#define  GL_GLEXT_PROTOTYPES
#include <GL/gl.h>
#include <GL/glu.h>
#include <GL/glext.h>
#include <GL/glut.h>
#else
#include <opengl/gl.h>
#include <opengl/glu.h>
#endif
#include <stdio.h>

#include "open_prospect_gl.h"



typedef struct
{
  GLfloat x;                    // X Component
  GLfloat y;                    // Y Component
  GLfloat z;                    // Z Component
} GLVec3;


void
TargetStructGL::SetColor (int num, float red, float green, float blue)
{
  colors[num][0] = red;
  colors[num][1] = green;
  colors[num][2] = blue;
}

void
TargetStructGL::SetLen (int len)
{
  TargetStruct::SetLen (len);

  if (colors != NULL)
    free (colors);

  colors = (vec3 *) malloc (sizeof (vec3) * len);
  for (int i = 0; i < len; i++)
    {
      colors[i][0] = 1.0;
      colors[i][2] = 0.5;
      colors[i][1] = 0.5;
    }
}


void
TargetStructGL::VOB_Init (void)
{
  m_nVertexCount = len * 8;
  GLVec3 *m_pVertices = new GLVec3[m_nVertexCount];
  int vertex_count = 0;
  for (int i = 0; i < len - 1; i++)
    {
      ResidueAtoms *the_res = &structure[i];
      ResidueAtoms *next_res = &structure[i + 1];
      m_pVertices[vertex_count].x = the_res->atom[the_res->bb_num[anN]][0];
      m_pVertices[vertex_count].y = the_res->atom[the_res->bb_num[anN]][1];
      m_pVertices[vertex_count].z = the_res->atom[the_res->bb_num[anN]][2];
      m_pVertices[vertex_count + 1].x =
        the_res->atom[the_res->bb_num[anCa]][0];
      m_pVertices[vertex_count + 1].y =
        the_res->atom[the_res->bb_num[anCa]][1];
      m_pVertices[vertex_count + 1].z =
        the_res->atom[the_res->bb_num[anCa]][2];
      vertex_count += 2;

      m_pVertices[vertex_count].x = the_res->atom[the_res->bb_num[anCa]][0];
      m_pVertices[vertex_count].y = the_res->atom[the_res->bb_num[anCa]][1];
      m_pVertices[vertex_count].z = the_res->atom[the_res->bb_num[anCa]][2];
      m_pVertices[vertex_count + 1].x =
        the_res->atom[the_res->bb_num[anC]][0];
      m_pVertices[vertex_count + 1].y =
        the_res->atom[the_res->bb_num[anC]][1];
      m_pVertices[vertex_count + 1].z =
        the_res->atom[the_res->bb_num[anC]][2];
      vertex_count += 2;


      m_pVertices[vertex_count].x = the_res->atom[the_res->bb_num[anC]][0];
      m_pVertices[vertex_count].y = the_res->atom[the_res->bb_num[anC]][1];
      m_pVertices[vertex_count].z = the_res->atom[the_res->bb_num[anC]][2];
      m_pVertices[vertex_count + 1].x =
        the_res->atom[the_res->bb_num[anO]][0];
      m_pVertices[vertex_count + 1].y =
        the_res->atom[the_res->bb_num[anO]][1];
      m_pVertices[vertex_count + 1].z =
        the_res->atom[the_res->bb_num[anO]][2];
      vertex_count += 2;


      m_pVertices[vertex_count].x = the_res->atom[the_res->bb_num[anC]][0];
      m_pVertices[vertex_count].y = the_res->atom[the_res->bb_num[anC]][1];
      m_pVertices[vertex_count].z = the_res->atom[the_res->bb_num[anC]][2];
      m_pVertices[vertex_count + 1].x =
        next_res->atom[next_res->bb_num[anN]][0];
      m_pVertices[vertex_count + 1].y =
        next_res->atom[next_res->bb_num[anN]][1];
      m_pVertices[vertex_count + 1].z =
        next_res->atom[next_res->bb_num[anN]][2];
      vertex_count += 2;
    }



  glGenBuffersARB (1, &m_nVBOVertices); // Get A Valid Name
  glBindBufferARB (GL_ARRAY_BUFFER_ARB, m_nVBOVertices);        // Bind The Buffer
  // Load The Data
  glBufferDataARB (GL_ARRAY_BUFFER_ARB, m_nVertexCount * sizeof (vec3),
                   m_pVertices, GL_STATIC_DRAW_ARB);

  // Our Copy Of The Data Is No Longer Necessary, It Is Safe In The Graphics Card
  delete[]m_pVertices;
  m_pVertices = NULL;

}

void
TargetStructGL::SphereList_Init (void)
{

  //setup the sphere drawing list
  if (sphere_list == -1)
    {
      glDeleteLists (sphere_list, 1);
    }

  sphere_list = glGenLists (1);
  glNewList (sphere_list, GL_COMPILE);

  GLUquadricObj *quadratic = gluNewQuadric ();  // Create A Pointer To The Quadric Object ( NEW )
  gluQuadricNormals (quadratic, GLU_SMOOTH);    // Create Smooth Normals ( NEW )

  glInitNames ();

  for (int i = 0; i < len; i++)
    {
      ResidueAtoms *the_res = &structure[i];
      glPushName (i);
      glColor3f (colors[i][0], colors[i][1], colors[i][2]);
      for (int j = 0; j < the_res->atom_count; j++)
        {
          glPushMatrix ();
          glTranslatef (the_res->atom[j][0], the_res->atom[j][1],
                        the_res->atom[j][2]);
          gluSphere (quadratic, 1, 7, 7);
          glPopMatrix ();
        }
      glPopName ();
    }
  gluDeleteQuadric (quadratic); // Delete Quadratic - Free Resources
  glEndList ();
}



void
TargetStructGL::DrawAtomSphere (void)
{
  float red[3] = { 1, 0, 0 }, blue[3] =
  {
  0, 0, 1}, green[3] =
  {
  0, 1, 0};
  glColor4f (red[0], red[1], red[2], 0.4);
  glMaterialf (GL_FRONT, GL_SHININESS, 128.f);
  glCallList (sphere_list);
}

void
TargetStructGL::DrawBackBoneLine (void)
{
  int i, j, k, len;
  float alpha = 1;
  float red[3] = { 1, 0, 0 }, blue[3] =
  {
  0, 0, 1}, green[3] =
  {
  0, 1, 0};
  char string[1024];

  glLineWidth (2);
  glColor3f (1.0, 1.0, 1.0);
#if 1
  glBindBufferARB (GL_ARRAY_BUFFER_ARB, m_nVBOVertices);
  glVertexPointer (3, GL_FLOAT, 0, 0);
  glDrawArrays (GL_LINES, 0, m_nVertexCount);
#else
  for (int i = 0; i < the_target->len - 1; i++)
    {
      ResidueAtoms *the_res = &the_target->structure[i];
      ResidueAtoms *next_res = &the_target->structure[i + 1];
      //for (int j = 0; j < the_res->atom_count; j++) {       

      //glColor4f( the_res->atom[ the_res->bb_num[ anCa ] ].color[0],
      //                                 pdb1->atom[ pdb1->chain_residue[i][0].ca ].color[1],
      //                                 pdb1->atom[ pdb1->chain_residue[i][0].ca ].color[2],
      //                                 alpha);

      glBegin (GL_LINES);
      glVertex3f (the_res->atom[the_res->bb_num[anN]][0],
                  the_res->atom[the_res->bb_num[anN]][1],
                  the_res->atom[the_res->bb_num[anN]][2]);
      glVertex3f (the_res->atom[the_res->bb_num[anCa]][0],
                  the_res->atom[the_res->bb_num[anCa]][1],
                  the_res->atom[the_res->bb_num[anCa]][2]);

      glVertex3f (the_res->atom[the_res->bb_num[anCa]][0],
                  the_res->atom[the_res->bb_num[anCa]][1],
                  the_res->atom[the_res->bb_num[anCa]][2]);
      glVertex3f (the_res->atom[the_res->bb_num[anC]][0],
                  the_res->atom[the_res->bb_num[anC]][1],
                  the_res->atom[the_res->bb_num[anC]][2]);


      glVertex3f (the_res->atom[the_res->bb_num[anC]][0],
                  the_res->atom[the_res->bb_num[anC]][1],
                  the_res->atom[the_res->bb_num[anC]][2]);
      glVertex3f (the_res->atom[the_res->bb_num[anO]][0],
                  the_res->atom[the_res->bb_num[anO]][1],
                  the_res->atom[the_res->bb_num[anO]][2]);


      glVertex3f (the_res->atom[the_res->bb_num[anC]][0],
                  the_res->atom[the_res->bb_num[anC]][1],
                  the_res->atom[the_res->bb_num[anC]][2]);
      glVertex3f (next_res->atom[next_res->bb_num[anN]][0],
                  next_res->atom[next_res->bb_num[anN]][1],
                  next_res->atom[next_res->bb_num[anN]][2]);

      glEnd ();
    }
#endif
}

---