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RepCylBond.c

/* 
   A* -------------------------------------------------------------------
   B* This file contains source code for the PyMOL computer program
   C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific. 
   D* -------------------------------------------------------------------
   E* It is unlawful to modify or remove this copyright notice.
   F* -------------------------------------------------------------------
   G* Please see the accompanying LICENSE file for further information. 
   H* -------------------------------------------------------------------
   I* Additional authors of this source file include:
   -* 
   -* 
   -*
   Z* -------------------------------------------------------------------
*/

#include"os_predef.h"
#include"os_std.h"
#include"os_gl.h"

#include"Base.h"
#include"OOMac.h"
#include"Vector.h"
#include"ObjectMolecule.h"
#include"RepCylBond.h"
#include"Color.h"
#include"Setting.h"
#include"main.h"
#include"Feedback.h"
#include"Sphere.h"

00033 typedef struct RepCylBond {
  Rep R;
  float *V, *VR;
  int N, NR;
  int NEdge;
  float *VP;
  int NP;
  float *VSP, *VSPC;
  SphereRec *SP;
  int NSP, NSPC;
  float *VarAlpha, *VarAlphaRay, *VarAlphaSph;
} RepCylBond;

static void subdivide(int n, float *x, float *y);
float *RepCylinder(float *v, float *v1, float *v2, int nEdge,
                   int frontCap, int endCap, float tube_size, float overlap, float nub);

void RepCylBondFree(RepCylBond * I);

void RepCylBondFree(RepCylBond * I)
{
  FreeP(I->VarAlpha);
  FreeP(I->VarAlphaRay);
  FreeP(I->VarAlphaSph);
  FreeP(I->VR);
  FreeP(I->VP);
  FreeP(I->V);
  FreeP(I->VSP);
  FreeP(I->VSPC);
  RepPurge(&I->R);
  OOFreeP(I);
}

float *RepCylinderBox(float *v, float *v1, float *v2, float tube_size,
                      float overlap, float nub);

static void RepCylBondRender(RepCylBond * I, RenderInfo * info)
{
  CRay *ray = info->ray;
  Picking **pick = info->pick;
  int a;
  float *v, *var_alpha;
  int c, cc;
  int i, j;
  Pickable *p;
  float alpha;
  SphereRec *sp;
  register PyMOLGlobals *G = I->R.G;

  alpha =
    SettingGet_f(G, I->R.cs->Setting, I->R.obj->Setting, cSetting_stick_transparency);
  alpha = 1.0F - alpha;
  if(fabs(alpha - 1.0) < R_SMALL4)
    alpha = 1.0F;
  if(ray) {
    ray->fTransparentf(ray, 1.0F - alpha);
    PRINTFD(G, FB_RepCylBond)
      " RepCylBondRender: rendering raytracable...\n" ENDFD;

    v = I->VR;
    c = I->NR;
    var_alpha = I->VarAlphaRay;
    while(c--) {
      if(var_alpha) {
        ray->fTransparentf(ray, 1.0F - *(var_alpha++));
      }
      ray->fSausage3fv(ray, v + 4, v + 7, *(v + 3), v, v);
      v += 10;
    }
    var_alpha = I->VarAlphaSph;
    if(I->VSPC) {
      v = I->VSPC;
      c = I->NSPC;
      while(c--) {
        if(var_alpha) {
          ray->fTransparentf(ray, 1.0F - *(var_alpha++));
        }
        ray->fColor3fv(ray, v);
        v += 3;
        ray->fSphere3fv(ray, v, *(v + 3));
        v += 4;
      }
    }

    ray->fTransparentf(ray, 0.0);
  } else if(G->HaveGUI && G->ValidContext) {
    if(pick) {

      PRINTFD(G, FB_RepCylBond)
        " RepCylBondRender: rendering pickable...\n" ENDFD;

      i = (*pick)->src.index;

      v = I->VP;
      c = I->NP;
      p = I->R.P;

      while(c--) {

        i++;

        if(!(*pick)[0].src.bond) {
          /* pass 1 - low order bits */

          glColor3ub((uchar) ((i & 0xF) << 4), (uchar) ((i & 0xF0) | 0x8),
                     (uchar) ((i & 0xF00) >> 4));
          VLACheck((*pick), Picking, i);
          p++;
          (*pick)[i].src = *p;  /* copy object and atom info */
          (*pick)[i].context = I->R.context;
        } else {
          /* pass 2 - high order bits */

          j = i >> 12;

          glColor3ub((uchar) ((j & 0xF) << 4), (uchar) ((j & 0xF0) | 0x8),
                     (uchar) ((j & 0xF00) >> 4));

        }

        glBegin(GL_TRIANGLE_STRIP);

        glVertex3fv(v + 0);
        glVertex3fv(v + 3);

        glVertex3fv(v + 6);
        glVertex3fv(v + 9);

        glVertex3fv(v + 12);
        glVertex3fv(v + 15);

        glVertex3fv(v + 18);
        glVertex3fv(v + 21);

        glVertex3fv(v + 0);
        glVertex3fv(v + 3);

        glEnd();

        glBegin(GL_TRIANGLE_STRIP);

        glVertex3fv(v + 0);
        glVertex3fv(v + 6);

        glVertex3fv(v + 18);
        glVertex3fv(v + 12);

        glEnd();

        glBegin(GL_TRIANGLE_STRIP);

        glVertex3fv(v + 3);
        glVertex3fv(v + 9);

        glVertex3fv(v + 21);
        glVertex3fv(v + 15);

        glEnd();

        v += 24;

      }
      (*pick)[0].src.index = i; /* pass the count */

    } else {
      int use_dlst;

      use_dlst = (int) SettingGet(G, cSetting_use_display_lists);
      if(use_dlst && I->R.displayList) {
        glCallList(I->R.displayList);
      } else {

        if(use_dlst) {
          if(!I->R.displayList) {
            I->R.displayList = glGenLists(1);
            if(I->R.displayList) {
              glNewList(I->R.displayList, GL_COMPILE_AND_EXECUTE);
            }
          }
        }

        v = I->V;
        c = I->N;
        var_alpha = I->VarAlpha;
        PRINTFD(G, FB_RepCylBond)
          " RepCylBondRender: rendering GL...\n" ENDFD;

        while(c--) {
          /* cylinder entry consists of a color, a fan,
             a cylinder, and another fan (if flagged) */

          if((alpha == 1.0) && (!var_alpha)) {
            glColor3fv(v);
          } else if(var_alpha) {
            glColor4f(v[0], v[1], v[2], *(var_alpha++));
          } else {
            glColor4f(v[0], v[1], v[2], alpha);
          }
          v += 3;

          glBegin(GL_TRIANGLE_STRIP);
          a = I->NEdge + 1;
          while(a--) {
            glNormal3fv(v);
            v += 3;
            glVertex3fv(v);
            v += 3;
            glVertex3fv(v);
            v += 3;
          }
          glEnd();

          if(*(v++)) {
            glBegin(GL_TRIANGLE_FAN);
            glNormal3fv(v);
            v += 3;
            glVertex3fv(v);
            v += 3;
            a = I->NEdge + 1;
            while(a--) {
              glNormal3fv(v);
              v += 3;
              glVertex3fv(v);
              v += 3;
            }
            glEnd();
          }

          if(*(v++)) {

            glBegin(GL_TRIANGLE_FAN);
            glNormal3fv(v);
            v += 3;
            glVertex3fv(v);
            v += 3;
            a = I->NEdge + 1;
            while(a--) {
              glNormal3fv(v);
              v += 3;
              glVertex3fv(v);
              v += 3;
            }
            glEnd();
          }
        }

        if(I->VSP) {            /* stick spheres, if present */

          v = I->VSP;
          c = I->NSP;
          var_alpha = I->VarAlphaSph;

          if((alpha == 1.0) && !(var_alpha)) {

            sp = I->SP;
            while(c--) {
              glColor3fv(v);
              v += 3;
              for(a = 0; a < sp->NStrip; a++) {
                glBegin(GL_TRIANGLE_STRIP);
                cc = sp->StripLen[a];
                while(cc--) {
                  glNormal3fv(v);
                  v += 3;
                  glVertex3fv(v);
                  v += 3;
                }
                glEnd();
              }
            }
          } else {
            sp = I->SP;
            while(c--) {
              if(!var_alpha) {
                glColor4f(v[0], v[1], v[2], alpha);
              } else {
                glColor4f(v[0], v[1], v[2], *(var_alpha++));
              }
              v += 3;
              for(a = 0; a < sp->NStrip; a++) {
                glBegin(GL_TRIANGLE_STRIP);
                cc = sp->StripLen[a];
                while(cc--) {
                  glNormal3fv(v);
                  v += 3;
                  glVertex3fv(v);
                  v += 3;
                }
                glEnd();
              }
            }
          }
        }
        PRINTFD(G, FB_RepCylBond)
          " RepCylBondRender: done.\n" ENDFD;

        if(use_dlst && I->R.displayList) {
          glEndList();
        }
      }
    }
  }
}

static void RepValence(float **v_ptr, int *n_ptr,       /* opengl */
                       float **vr_ptr, int *nr_ptr,     /* ray */
                       float *v1, float *v2, int *other,
                       int a1, int a2, float *coord,
                       float *color1, float *color2, int ord,
                       int n_edge,
                       float tube_size,
                       float overlap,
                       float nub, int half_bonds, int fixed_r, float scale_r)
{

  float d[3], t[3], p0[3], p1[3], p2[3], *vv;
  float v1t[3], v2t[3], vh[3];
  float *v = *v_ptr, *vr = *vr_ptr;
  int n = *n_ptr, nr = *nr_ptr;
  int a3;
  int double_sided;

  /* First, we need to construct a coordinate system */

  /* get direction vector */

  p0[0] = (v2[0] - v1[0]);
  p0[1] = (v2[1] - v1[1]);
  p0[2] = (v2[2] - v1[2]);

  copy3f(p0, d);
  normalize3f(p0);

  /* need a third atom to get planarity */
  a3 = ObjectMoleculeGetPrioritizedOther(other, a1, a2, &double_sided);

  if(a3 < 0) {
    t[0] = p0[0];
    t[1] = p0[1];
    t[2] = -p0[2];
  } else {
    vv = coord + 3 * a3;
    t[0] = *(vv++) - v1[0];
    t[1] = *(vv++) - v1[1];
    t[2] = *(vv++) - v1[2];
    normalize3f(t);
  }

  cross_product3f(d, t, p1);

  normalize3f(p1);

  if(length3f(p1) == 0.0) {
    p1[0] = p0[1];
    p1[1] = p0[2];
    p1[2] = p0[0];
    cross_product3f(p0, p1, p2);
    normalize3f(p2);
  } else {
    cross_product3f(d, p1, p2);

    normalize3f(p2);
  }

  /* we have a coordinate system */

  /* Next, we need to determine how many cylinders */

  switch (ord) {
  case 2:
    {
      float radius = tube_size;
      float overlap_r;
      float nub_r;
      if(!fixed_r) {
        radius *= scale_r;
        radius /= 2.5;
      }

      overlap_r = radius * overlap;
      nub_r = radius * nub;

      t[0] = p2[0] * 1.5F * radius;
      t[1] = p2[1] * 1.5F * radius;
      t[2] = p2[2] * 1.5F * radius;

      if(!half_bonds) {

        /* opengl */

        copy3f(color1, v);
        v += 3;

        add3f(v1, t, v1t);
        add3f(v2, t, v2t);

        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);
        n++;

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1t, vr);
        vr += 3;
        copy3f(v2t, vr);
        vr += 3;
        nr++;

        /* opengl */

        copy3f(color1, v);

        v += 3;

        subtract3f(v1, t, v1t);
        subtract3f(v2, t, v2t);

        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1t, vr);
        vr += 3;
        copy3f(v2t, vr);
        vr += 3;
        nr++;

        n++;
      } else {
        vh[0] = (v1[0] + v2[0]) * 0.5F;
        vh[1] = (v1[1] + v2[1]) * 0.5F;
        vh[2] = (v1[2] + v2[2]) * 0.5F;

        if(color1) {

          /* opengl */
          copy3f(color1, v);
          v += 3;

          add3f(v1, t, v1t);
          add3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

          /* opengl */
          copy3f(color1, v);
          v += 3;

          subtract3f(v1, t, v1t);
          subtract3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

        }
        if(color2) {

          copy3f(color2, v);
          v += 3;

          add3f(v2, t, v1t);
          add3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

          copy3f(color2, v);
          v += 3;

          subtract3f(v2, t, v1t);
          subtract3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;
          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

        }
      }
    }
    break;
  case 3:
    {
      float radius = tube_size;
      float overlap_r;
      float nub_r;
      if(!fixed_r) {
        radius *= scale_r;
        radius /= 3.5;
      }

      overlap_r = radius * overlap;
      nub_r = radius * nub;

      t[0] = p2[0] * 2.5F * radius;
      t[1] = p2[1] * 2.5F * radius;
      t[2] = p2[2] * 2.5F * radius;

      if(!half_bonds) {
        /* opengl */
        copy3f(color1, v);

        v += 3;
        copy3f(v1, v1t);
        copy3f(v2, v2t);
        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);
        n++;

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1, vr);
        vr += 3;
        copy3f(v2, vr);
        vr += 3;
        nr++;

        /* opengl */
        copy3f(color1, v);

        v += 3;

        add3f(v1, t, v1t);
        add3f(v2, t, v2t);

        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);
        n++;

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1t, vr);
        vr += 3;
        copy3f(v2t, vr);
        vr += 3;
        nr++;

        /* opengl */
        copy3f(color1, v);

        v += 3;

        subtract3f(v1, t, v1t);
        subtract3f(v2, t, v2t);

        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);
        n++;

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1t, vr);
        vr += 3;
        copy3f(v2t, vr);
        vr += 3;
        nr++;

      } else {
        vh[0] = (v1[0] + v2[0]) * 0.5F;
        vh[1] = (v1[1] + v2[1]) * 0.5F;
        vh[2] = (v1[2] + v2[2]) * 0.5F;

        if(color1) {
          /* opengl */
          copy3f(color1, v);
          v += 3;

          copy3f(v1, v1t);
          v = RepCylinder(v, v1t, vh, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1, vr);
          vr += 3;
          copy3f(vh, vr);
          vr += 3;
          nr++;

          /* opengl */
          copy3f(color1, v);
          v += 3;

          add3f(v1, t, v1t);
          add3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

          /* opengl */
          copy3f(color1, v);
          v += 3;

          subtract3f(v1, t, v1t);
          subtract3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

        }
        if(color2) {

          /* opengl */
          copy3f(color2, v);
          v += 3;

          copy3f(v2, v2t);
          v = RepCylinder(v, v2t, vh, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v2, vr);
          vr += 3;
          copy3f(vh, vr);
          vr += 3;
          nr++;

          /* opengl */
          copy3f(color2, v);
          v += 3;

          add3f(v2, t, v1t);
          add3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

          /* opengl */
          copy3f(color2, v);
          v += 3;

          subtract3f(v2, t, v1t);
          subtract3f(vh, t, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1t, vr);
          vr += 3;
          copy3f(v2t, vr);
          vr += 3;
          nr++;

        }
      }
    }

    break;
  case 4:
    {
      float radius = tube_size;
      float radius2 = tube_size;
      float overlap_r, overlap_r2;
      float nub_r, nub_r2;
      float along[3], adj[3], v1tt[3], v2tt[3];
      float inner1a = 0.24F;
      float inner1b = 0.44F;
      float inner2a = 0.5F + (0.5F - inner1b);
      float inner2b = 1.0F - inner1a;

      if(!fixed_r) {
        radius *= scale_r;
        radius2 = radius / 2.5F;
        t[0] = p2[0] * 1.5F * radius;
        t[1] = p2[1] * 1.5F * radius;
        t[2] = p2[2] * 1.5F * radius;
      } else {
        inner1a -= 0.04F;
        inner2b = 1.0F - inner1a;
        t[0] = p2[0] * 3 * radius;
        t[1] = p2[1] * 3 * radius;
        t[2] = p2[2] * 3 * radius;
      }

      overlap_r = radius * overlap;
      nub_r = radius * nub;
      overlap_r2 = radius2 * overlap;
      nub_r2 = radius2 * nub;

      if(!half_bonds) {

        /* opengl */

        copy3f(color1, v);
        v += 3;

        copy3f(v1, v1t);
        copy3f(v2, v2t);
        v = RepCylinder(v, v1t, v2t, n_edge, 1, 1, radius, overlap_r, nub_r);
        n++;

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius;
        copy3f(v1, vr);
        vr += 3;
        copy3f(v2, vr);
        vr += 3;
        nr++;

        subtract3f(v1, t, v1t);
        subtract3f(v2, t, v2t);

        subtract3f(v2t, v1t, along);
        scale3f(along, inner1a, adj);
        add3f(adj, v1t, v1tt);
        scale3f(along, inner1b, adj);
        add3f(adj, v1t, v2tt);

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius2;
        copy3f(v1tt, vr);
        vr += 3;
        copy3f(v2tt, vr);
        vr += 3;
        nr++;

        /* opengl */

        copy3f(color1, v);
        v += 3;

        v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
        n++;

        scale3f(along, inner2a, adj);
        add3f(adj, v1t, v1tt);
        scale3f(along, inner2b, adj);
        add3f(adj, v1t, v2tt);

        /* ray */

        copy3f(color1, vr);
        vr += 3;
        *(vr++) = radius2;
        copy3f(v1tt, vr);
        vr += 3;
        copy3f(v2tt, vr);
        vr += 3;
        nr++;

        /* opengl */

        copy3f(color1, v);
        v += 3;

        v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
        n++;

        if(double_sided) {

          add3f(v1, t, v1t);
          add3f(v2, t, v2t);

          subtract3f(v2t, v1t, along);
          scale3f(along, inner1a, adj);
          add3f(adj, v1t, v1tt);
          scale3f(along, inner1b, adj);
          add3f(adj, v1t, v2tt);

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius2;
          copy3f(v1tt, vr);
          vr += 3;
          copy3f(v2tt, vr);
          vr += 3;
          nr++;

          /* opengl */

          copy3f(color1, v);
          v += 3;

          v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
          n++;

          scale3f(along, inner2a, adj);
          add3f(adj, v1t, v1tt);
          scale3f(along, inner2b, adj);
          add3f(adj, v1t, v2tt);

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius2;
          copy3f(v1tt, vr);
          vr += 3;
          copy3f(v2tt, vr);
          vr += 3;
          nr++;

          /* opengl */

          copy3f(color1, v);
          v += 3;

          v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
          n++;

        }

      } else {
        vh[0] = (v1[0] + v2[0]) * 0.5F;
        vh[1] = (v1[1] + v2[1]) * 0.5F;
        vh[2] = (v1[2] + v2[2]) * 0.5F;

        if(color1) {

          /* opengl */

          copy3f(color1, v);
          v += 3;

          copy3f(v1, v1t);
          copy3f(vh, v2t);
          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v1, vr);
          vr += 3;
          copy3f(vh, vr);
          vr += 3;
          nr++;

          subtract3f(v1, t, v1t);
          subtract3f(v2, t, v2t);

          subtract3f(v2t, v1t, along);
          scale3f(along, inner1a, adj);
          add3f(adj, v1t, v1tt);
          scale3f(along, inner1b, adj);
          add3f(adj, v1t, v2tt);

          /* ray */

          copy3f(color1, vr);
          vr += 3;
          *(vr++) = radius2;
          copy3f(v1tt, vr);
          vr += 3;
          copy3f(v2tt, vr);
          vr += 3;
          nr++;

          /* open gl */

          copy3f(color1, v);
          v += 3;

          v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
          n++;

          if(double_sided) {

            add3f(v1, t, v1t);
            add3f(v2, t, v2t);

            subtract3f(v2t, v1t, along);
            scale3f(along, inner1a, adj);
            add3f(adj, v1t, v1tt);
            scale3f(along, inner1b, adj);
            add3f(adj, v1t, v2tt);

            /* ray */

            copy3f(color1, vr);
            vr += 3;
            *(vr++) = radius2;
            copy3f(v1tt, vr);
            vr += 3;
            copy3f(v2tt, vr);
            vr += 3;
            nr++;

            /* open gl */

            copy3f(color1, v);
            v += 3;

            v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
            n++;

          }
        }

        if(color2) {

          copy3f(color2, v);
          v += 3;

          copy3f(v2, v1t);
          copy3f(vh, v2t);

          v = RepCylinder(v, v1t, v2t, n_edge, 1, 0, radius, overlap_r, nub_r);
          n++;

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius;
          copy3f(v2, vr);
          vr += 3;
          copy3f(vh, vr);
          vr += 3;
          nr++;

          subtract3f(v1, t, v1t);
          subtract3f(v2, t, v2t);

          subtract3f(v2t, v1t, along);
          scale3f(along, inner2a, adj);
          add3f(adj, v1t, v1tt);
          scale3f(along, inner2b, adj);
          add3f(adj, v1t, v2tt);

          /* ray */

          copy3f(color2, vr);
          vr += 3;
          *(vr++) = radius2;
          copy3f(v1tt, vr);
          vr += 3;
          copy3f(v2tt, vr);
          vr += 3;
          nr++;

          /* opengl */

          copy3f(color2, v);
          v += 3;

          v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
          n++;

          if(double_sided) {

            add3f(v1, t, v1t);
            add3f(v2, t, v2t);

            subtract3f(v2t, v1t, along);
            scale3f(along, inner2a, adj);
            add3f(adj, v1t, v1tt);
            scale3f(along, inner2b, adj);
            add3f(adj, v1t, v2tt);

            /* ray */

            copy3f(color2, vr);
            vr += 3;
            *(vr++) = radius2;
            copy3f(v1tt, vr);
            vr += 3;
            copy3f(v2tt, vr);
            vr += 3;
            nr++;

            /* opengl */

            copy3f(color2, v);
            v += 3;

            v = RepCylinder(v, v1tt, v2tt, n_edge, 1, 1, radius2, overlap_r2, nub_r2);
            n++;

          }
        }
      }
    }
    break;
  }
  *v_ptr = v;
  *n_ptr = n;
  *vr_ptr = vr;
  *nr_ptr = nr;

}

Rep *RepCylBondNew(CoordSet * cs, int state)
{
  PyMOLGlobals *G = cs->State.G;
  ObjectMolecule *obj;
  int a, a1, a2, c1, c2, s1, s2;
  register int b1, b2;
  register BondType *b;
  float *v, *vv1, *vv2, *v0, *vr, *vsp, *vspc;
  float v1[3], v2[3], h[3];
  float radius;
  int nEdge;
  float valence;
  float overlap, nub;
  int half_bonds, *other = NULL;
  int visFlag;
  int maxCyl;
  int ord;
  int stick_ball, stick_ball_color = -1;
  float stick_ball_ratio = 1.0F;
  unsigned int v_size, vr_size, rp_size, vp_size;
  Pickable *rp;
  register AtomInfoType *ai1, *ai2;
  SphereRec *sp = NULL;
  float *rgb1, *rgb2, rgb1_buf[3], rgb2_buf[3];
  int fixed_radius = false;
  int caps_req = true;
  int valence_flag = false;
  int hide_long = false;
  int stick_color = 0;
  int cartoon_side_chain_helper = 0;
  int ribbon_side_chain_helper = 1;
  int na_mode;
  int *marked = NULL;
  float scale_r = 1.0F;
  int variable_alpha = false;
  int n_var_alpha = 0, n_var_alpha_ray = 0, n_var_alpha_sph = 0;
  float transp, h_scale;
  int valence_found = false;
  const float _0p9 = 0.9F;

  OOAlloc(G, RepCylBond);

  PRINTFD(G, FB_RepCylBond)
    " RepCylBondNew-Debug: entered.\n" ENDFD;

  obj = cs->Obj;
  visFlag = false;
  b = obj->Bond;
  ai1 = obj->AtomInfo;
  if(obj->RepVisCache[cRepCyl])
    for(a = 0; a < obj->NBond; a++) {
      b1 = b->index[0];
      b2 = b->index[1];

      b++;
      if(ai1[b1].visRep[cRepCyl] || ai1[b2].visRep[cRepCyl]) {
        visFlag = true;
        break;
      }
    }
  if(!visFlag) {
    OOFreeP(I);
    return (NULL);              /* skip if no dots are visible */
  }

  marked = Calloc(int, obj->NAtom);

  valence = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_valence);
  valence_flag = (valence != 0.0F);
  maxCyl = 0;

  stick_color = SettingGet_color(G, cs->Setting, obj->Obj.Setting, cSetting_stick_color);
  cartoon_side_chain_helper = SettingGet_b(G, cs->Setting, obj->Obj.Setting,
                                           cSetting_cartoon_side_chain_helper);
  ribbon_side_chain_helper = SettingGet_b(G, cs->Setting, obj->Obj.Setting,
                                          cSetting_ribbon_side_chain_helper);

  transp = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_transparency);
  hide_long = SettingGet_b(G, cs->Setting, obj->Obj.Setting, cSetting_hide_long_bonds);

  b = obj->Bond;
  for(a = 0; a < obj->NBond; a++) {
    b1 = b->index[0];
    b2 = b->index[1];
    ord = b->order;

    if(obj->DiscreteFlag) {
      if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
        a1 = obj->DiscreteAtmToIdx[b1];
        a2 = obj->DiscreteAtmToIdx[b2];
      } else {
        a1 = -1;
        a2 = -1;
      }
    } else {
      a1 = cs->AtmToIdx[b1];
      a2 = cs->AtmToIdx[b2];
    }
    if((a1 >= 0) && (a2 >= 0)) {
      int bd_valence_flag;

      if((!variable_alpha) && AtomInfoCheckBondSetting(G, b, cSetting_stick_transparency))
        variable_alpha = true;

      AtomInfoGetBondSetting_b(G, b, cSetting_valence, valence_flag, &bd_valence_flag);

      if(bd_valence_flag) {
        valence_found = true;
        switch (ord) {
        case 1:
          maxCyl += 2;
          break;
        case 2:
          maxCyl += 4;
          break;
        case 3:
          maxCyl += 6;
          break;
        case 4:
          maxCyl += 6;
          break;
        }
      } else
        maxCyl += 2;
    }
    b++;
  }

  nEdge = (int) SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_quality);
  radius = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_radius);
  half_bonds = (int) SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_half_bonds);
  na_mode =
    SettingGet_i(G, cs->Setting, obj->Obj.Setting, cSetting_cartoon_nucleic_acid_mode);
  h_scale = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_h_scale);
  RepInit(G, &I->R);
  I->R.fRender = (void (*)(struct Rep *, RenderInfo *)) RepCylBondRender;
  I->R.fFree = (void (*)(struct Rep *)) RepCylBondFree;
  I->R.obj = (CObject *) obj;
  I->R.cs = cs;

  I->V = NULL;
  I->VR = NULL;
  I->N = 0;
  I->NR = 0;
  I->NP = 0;
  I->VP = NULL;
  I->SP = NULL;
  I->VSP = NULL;
  I->NSP = 0;
  I->VSPC = NULL;
  I->NSPC = 0;
  I->VarAlpha = NULL;
  I->VarAlphaRay = NULL;
  I->VarAlphaSph = NULL;

  if(obj->NBond) {
    int draw_mode = SettingGetGlobal_i(G, cSetting_draw_mode);
    int draw_quality = (((draw_mode == 1) || (draw_mode == -2) || (draw_mode == 2)));

    stick_ball = SettingGet_b(G, cs->Setting, obj->Obj.Setting, cSetting_stick_ball);
    overlap = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_overlap);
    nub = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_nub);

    if(draw_quality) {
      nEdge = 16;
      overlap = 0.05;
    }

    if(cartoon_side_chain_helper || ribbon_side_chain_helper) {
      /* mark atoms that are bonded to atoms without a
         visible cartoon or ribbon */

      b = obj->Bond;
      for(a = 0; a < obj->NBond; a++) {

        b1 = b->index[0];
        b2 = b->index[1];
        ord = b->order;

        if(obj->DiscreteFlag) {
          if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
            a1 = obj->DiscreteAtmToIdx[b1];
            a2 = obj->DiscreteAtmToIdx[b2];
          } else {
            a1 = -1;
            a2 = -1;
          }
        } else {
          a1 = cs->AtmToIdx[b1];
          a2 = cs->AtmToIdx[b2];
        }
        if((a1 >= 0) && (a2 >= 0)) {
          register AtomInfoType *ati1 = obj->AtomInfo + b1;
          register AtomInfoType *ati2 = obj->AtomInfo + b2;

          if((!ati1->hetatm) && (!ati2->hetatm)) {
            if(((cartoon_side_chain_helper && ati1->visRep[cRepCartoon]
                 && !ati2->visRep[cRepCartoon]) || (ribbon_side_chain_helper
                                                    && ati1->visRep[cRepRibbon]
                                                    && !ati2->visRep[cRepRibbon]))) {
              marked[b1] = 1;
            }
            if(((cartoon_side_chain_helper && ati2->visRep[cRepCartoon]
                 && !ati1->visRep[cRepCartoon]) || (ribbon_side_chain_helper
                                                    && ati2->visRep[cRepRibbon]
                                                    && !ati1->visRep[cRepRibbon]))) {
              marked[b2] = 1;
            }
          }
        }
        b++;
      }

    }

    if(valence_found) {         /* build list of up to 2 connected atoms for each atom */
      other = ObjectMoleculeGetPrioritizedOtherIndexList(obj, cs);
      fixed_radius =
        SettingGet_b(G, cs->Setting, obj->Obj.Setting, cSetting_stick_fixed_radius);
      scale_r =
        SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_valence_scale);
    }

    /* OpenGL */

    v_size = maxCyl * ((9 + 6 + 6) * (nEdge + 1) + 3);
    /* each cylinder is 9+6+6+3= 21*(nEdge+1) floats for coordinates
       plus 3 more floats for color */

    /*    printf("debug maxCyl: %d nEdge: %d v_size: %d\n",maxCyl,nEdge,v_size); */

    if(variable_alpha)
      I->VarAlpha = Alloc(float, maxCyl);
    I->V = Alloc(float, v_size);
    ErrChkPtr(G, I->V);

    /* RayTrace */

    vr_size = maxCyl * 10 * 3;
    if(variable_alpha)
      I->VarAlphaRay = Alloc(float, maxCyl);
    I->VR = Alloc(float, vr_size);
    ErrChkPtr(G, I->VR);

    /* spheres for stick & balls */
    if(stick_ball) {
      stick_ball_ratio =
        SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_ball_ratio);
      stick_ball_color =
        SettingGet_b(G, cs->Setting, obj->Obj.Setting, cSetting_stick_ball_color);
    } else if(draw_quality) {
      stick_ball = true;
    }
    if(stick_ball) {
      int ds;

      ds = SettingGet_i(G, cs->Setting, obj->Obj.Setting, cSetting_sphere_quality);
      if(ds < 0)
        ds = 0;
      if(ds > 4)
        ds = 4;

      if(draw_quality && (ds < 3))
        ds = 3;

      sp = G->Sphere->Sphere[ds];

      I->SP = sp;
      I->VSP = Alloc(float, maxCyl * 2 * (3 + sp->NVertTot * 6));
      I->VSPC = Alloc(float, maxCyl * 2 * 7);
      I->VarAlphaSph = Alloc(float, maxCyl * 2);
      ErrChkPtr(G, I->VSP);
    }
    I->NEdge = nEdge;

    v = I->V;
    vr = I->VR;
    vsp = I->VSP;
    vspc = I->VSPC;
    b = obj->Bond;
    for(a = 0; a < obj->NBond; a++) {

      b1 = b->index[0];
      b2 = b->index[1];
      ord = b->order;

      if(obj->DiscreteFlag) {
        if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
          a1 = obj->DiscreteAtmToIdx[b1];
          a2 = obj->DiscreteAtmToIdx[b2];
        } else {
          a1 = -1;
          a2 = -1;
        }
      } else {
        a1 = cs->AtmToIdx[b1];
        a2 = cs->AtmToIdx[b2];
      }
      if((a1 >= 0) && (a2 >= 0)) {

        register AtomInfoType *ati1 = obj->AtomInfo + b1;
        register AtomInfoType *ati2 = obj->AtomInfo + b2;
        int bd_stick_color;
        float bd_radius, bd_radius_full;
        float overlap_r, nub_r;
        float bd_transp;

        AtomInfoGetBondSetting_color(G, b, cSetting_stick_color, stick_color,
                                     &bd_stick_color);
        AtomInfoGetBondSetting_f(G, b, cSetting_stick_radius, radius, &bd_radius);
        if(variable_alpha)
          AtomInfoGetBondSetting_f(G, b, cSetting_stick_transparency, transp, &bd_transp);

        bd_radius_full = fabs(bd_radius);
        if(bd_radius < 0.0F) {
          bd_radius = -bd_radius;
          if((ati1->protons == cAN_H) || (ati2->protons == cAN_H))
            bd_radius = bd_radius * h_scale;    /* scaling for bonds involving hydrogen */

        }
        overlap_r = overlap * bd_radius;
        nub_r = nub * bd_radius;

        if(bd_stick_color < 0) {
          if(bd_stick_color == cColorObject) {
            c1 = (c2 = obj->Obj.Color);
          } else if(ColorCheckRamped(G, bd_stick_color)) {
            c1 = (c2 = bd_stick_color);
          } else {
            c1 = *(cs->Color + a1);
            c2 = *(cs->Color + a2);
          }
        } else {
          c1 = (c2 = bd_stick_color);
        }

        vv1 = cs->Coord + 3 * a1;
        vv2 = cs->Coord + 3 * a2;

        s1 = ati1->visRep[cRepCyl];
        s2 = ati2->visRep[cRepCyl];

        if(!(s1 && s2))
          if(!half_bonds) {
            s1 = 0;
            s2 = 0;
          }

        if(hide_long && (s1 || s2)) {
          float cutoff = (ati1->vdw + ati2->vdw) * _0p9;
          ai1 = obj->AtomInfo + b1;
          ai2 = obj->AtomInfo + b2;
          if(!within3f(vv1, vv2, cutoff))       /* atoms separated by more than 90% of the sum of their vdw radii */
            s1 = s2 = 0;
        }

        if((!ati1->hetatm) && (!ati2->hetatm) &&
           ((cartoon_side_chain_helper && ati1->visRep[cRepCartoon]
             && ati2->visRep[cRepCartoon]) || (ribbon_side_chain_helper
                                               && ati1->visRep[cRepRibbon]
                                               && ati2->visRep[cRepRibbon]))) {

          register char *name1 = ati1->name;
          register int prot1 = ati1->protons;
          register char *name2 = ati2->name;
          register int prot2 = ati2->protons;

          if(prot1 == cAN_C) {
            if((name1[1] == 'A') && (name1[0] == 'C') && (!name1[2])) { /* CA */
              if(prot2 == cAN_C) {
                if((name2[1] == 'B') && (name2[0] == 'C') && (!name2[2]))
                  c1 = c2;      /* CA-CB */
                else if((!name2[1]) && (name2[0] == 'C') && (!marked[b2]))
                  s1 = s2 = 0;  /* suppress CA-C */
              } else if(prot2 == cAN_H)
                s1 = s2 = 0;    /* suppress all CA-hydrogens */
            } else if((na_mode == 1) && (prot2 == cAN_C)) {
              if((((name2[3] == 0) &&
                   ((name2[2] == '*') || (name2[2] == '\'')) &&
                   (name2[1] == '5') &&
                   (name2[0] == 'C'))) &&
                 (((name1[3] == 0) &&
                   ((name1[2] == '*') || (name1[2] == '\'')) &&
                   (name1[1] == '4') && (name1[0] == 'C'))))
                s1 = s2 = 0;
            }
          } else if(prot1 == cAN_N) {
            if((!name1[1]) && (name1[0] == 'N')) {      /* N */
              if(prot2 == cAN_C) {
                if((name2[1] == 'D') && (name2[0] == 'C') && (!name2[2]))
                  c1 = c2;      /* N->CD in PRO */
                else if((name2[1] == 'A') && (name2[0] == 'C') && (!name2[2])
                        && (!marked[b1])) {
                  char *resn2 = ati2->resn;
                  if(!((resn2[0] == 'P') && (resn2[1] == 'R') && (resn2[2] == 'O')))
                    s1 = s2 = 0;        /* suppress N-CA, except in pro */
                  else
                    c1 = c2;
                } else if((!name2[1]) && (name2[0] == 'C') && (!marked[b1]))
                  s1 = s2 = 0;  /* suppress N-C */
              } else if(prot2 == cAN_H)
                s1 = s2 = 0;    /* suppress all N-hydrogens */
            }
          } else if((prot1 == cAN_O) && (prot2 == cAN_C)) {
            if((!name2[1]) && (name2[0] == 'C') &&
               (((!name1[1]) && (name1[0] == 'O')) ||
                ((name1[3] == 0) && (name1[2] == 'T') && (name1[1] == 'X')
                 && (name1[0] == 'O')))
               && (!marked[b2]))
              s1 = s2 = 0;      /* suppress C-O,OXT */
            else if(na_mode == 1) {
              if((((name2[3] == 0) &&
                   ((name2[2] == '*') || (name2[2] == '\'')) &&
                   ((name2[1] == '3') || (name2[1] == '5')) &&
                   (name2[0] == 'C'))) &&
                 (((name1[3] == 0) &&
                   ((name1[2] == '*') || (name1[2] == '\'')) &&
                   ((name1[1] == '3') || (name1[1] == '5')) && (name1[0] == 'O'))))
                s1 = s2 = 0;
            }
          } else if((prot1 == cAN_P) && (prot2 == cAN_O)) {
            if((!name1[1]) && (name1[0] == 'P') &&
               (((name2[3] == 0) && (name2[2] == 'P') &&
                 ((name2[1] == '1') || (name2[1] == '2') || (name2[1] == '3'))
                 && (name2[0] == 'O'))))
              s1 = s2 = 0;      /* suppress P-O1P,O2P,O3P */
            else if(na_mode == 1) {
              if((!name1[1]) && (name1[0] == 'P') &&
                 (((name2[3] == 0) &&
                   ((name2[2] == '*') || (name2[2] == '\'')) &&
                   ((name2[1] == '3') || (name2[1] == '5')) && (name2[0] == 'O'))))
                s1 = s2 = 0;
            }
          }
          if(prot2 == cAN_C) {
            if((name2[1] == 'A') && (name2[0] == 'C') && (!name2[2])) { /* CA */
              if(prot1 == cAN_C) {
                if((name1[1] == 'B') && (name1[0] == 'C') && (!name1[2]))
                  c2 = c1;      /* CA-CB */
                else if((!name1[1]) && (name1[0] == 'C') && (!marked[b1]))
                  s1 = s2 = 0;  /* suppress CA-C */
              } else if(prot1 == cAN_H)
                s1 = s2 = 0;    /* suppress all CA-hydrogens */
            } else if((na_mode == 1) && (prot2 == cAN_C)) {
              if((((name1[3] == 0) &&
                   ((name1[2] == '*') || (name1[2] == '\'')) &&
                   (name1[1] == '5') &&
                   (name1[0] == 'C'))) &&
                 (((name2[3] == 0) &&
                   ((name2[2] == '*') || (name2[2] == '\'')) &&
                   (name2[1] == '4') && (name2[0] == 'C'))))
                s1 = s2 = 0;
            }
          } else if(prot2 == cAN_N) {
            if((!name2[1]) && (name2[0] == 'N')) {      /* N */
              if(prot1 == cAN_C) {
                if((name1[1] == 'D') && (name1[0] == 'C') && (!name1[2]))
                  c2 = c1;      /* N->CD in PRO */
                else if((name1[1] == 'A') && (name1[0] == 'C') && (marked[b2])) {
                  char *resn1 = ati1->resn;
                  if(!((resn1[0] == 'P') && (resn1[1] == 'R') && (resn1[2] == 'O')))
                    s1 = s2 = 0;        /* suppress N-CA, except in pro */
                  else
                    c2 = c1;
                } else if((!name1[1]) && (name1[0] == 'C') && (!marked[b2]))
                  s1 = s2 = 0;  /* suppress N-C */
              } else if(prot1 == cAN_H)
                s1 = s2 = 0;    /* suppress all N-hydrogens */
            }
          } else if((prot2 == cAN_O) && (prot1 == cAN_C)) {
            if((!name1[1]) && (name1[0] == 'C') &&
               (((!name2[1]) && (name2[0] == 'O')) ||
                ((name2[3] == 0) && (name2[2] == 'T') && (name2[1] == 'X')
                 && (name2[0] == 'O')))
               && (!marked[b1]))
              s1 = s2 = 0;      /* suppress C-O,OXT */
            else if(na_mode == 1) {
              if((((name1[3] == 0) &&
                   ((name1[2] == '*') || (name1[2] == '\'')) &&
                   ((name1[1] == '3') || (name1[1] == '5')) &&
                   (name1[0] == 'C'))) &&
                 (((name2[3] == 0) &&
                   ((name2[2] == '*') || (name2[2] == '\'')) &&
                   ((name2[1] == '3') || (name2[1] == '5')) && (name2[0] == 'O'))))
                s1 = s2 = 0;
            }
          } else if((prot2 == cAN_P) && (prot1 == cAN_O)) {
            if((!name2[1]) && (name2[0] == 'P') &&
               (((name1[3] == 0) && (name1[2] == 'P') &&
                 ((name1[1] == '1') || (name1[1] == '2') || (name1[1] == '3'))
                 && (name1[0] == 'O'))))
              s1 = s2 = 0;      /* suppress P-O1P,O2P,O3P */
            else if(na_mode == 1) {
              if((!name2[1]) && (name2[0] == 'P') &&
                 (((name1[3] == 0) &&
                   ((name1[2] == '*') || (name1[2] == '\'')) &&
                   ((name1[1] == '3') || (name1[1] == '5')) && (name1[0] == 'O'))))
                s1 = s2 = 0;
            }
          }
        }

        if(stick_ball) {
          int d, e;
          if(stick_ball_ratio >= 1.0F)  /* don't use caps if spheres are big enough */
            caps_req = false;
          if(s1 && (!marked[b1])) {     /* just once for each atom... */
            int *q = sp->Sequence;
            int *s = sp->StripLen;
            float vdw =
              stick_ball_ratio * ((ati1->protons == cAN_H) ? bd_radius : bd_radius_full);
            float vdw1 = (vdw >= 0) ? vdw : -ati1->vdw * vdw;
            int sbc1 = (stick_ball_color == cColorDefault) ? c1 : stick_ball_color;

            if(sbc1 == cColorAtomic)
              sbc1 = ati1->color;

            marked[b1] = 1;
            {
              if(ColorCheckRamped(G, sbc1)) {
                ColorGetRamped(G, sbc1, vv1, rgb2_buf, state);
                rgb1 = rgb1_buf;
              } else {
                rgb1 = ColorGet(G, sbc1);
              }
            }
            copy3f(rgb1, vsp);
            vsp += 3;
            for(d = 0; d < sp->NStrip; d++) {
              for(e = 0; e < (*s); e++) {
                *(vsp++) = sp->dot[*q][0];      /* normal */
                *(vsp++) = sp->dot[*q][1];
                *(vsp++) = sp->dot[*q][2];
                *(vsp++) = vv1[0] + vdw1 * sp->dot[*q][0];      /* point */
                *(vsp++) = vv1[1] + vdw1 * sp->dot[*q][1];
                *(vsp++) = vv1[2] + vdw1 * sp->dot[*q][2];
                q++;
              }
              s++;
            }
            I->NSP++;
            copy3f(rgb1, vspc);
            vspc += 3;
            copy3f(vv1, vspc);
            vspc += 3;
            *(vspc++) = vdw1;
            I->NSPC++;
          }

          if(s2 && !(marked[b2])) {     /* just once for each atom... */
            int *q = sp->Sequence;
            int *s = sp->StripLen;
            float vdw =
              stick_ball_ratio * ((ati2->protons == cAN_H) ? bd_radius : bd_radius_full);
            float vdw2 = (vdw >= 0) ? vdw : -ati2->vdw * vdw;
            int sbc2 = (stick_ball_color == cColorDefault) ? c2 : stick_ball_color;

            marked[b2] = 1;

            if(sbc2 == cColorAtomic)
              sbc2 = ati2->color;

            if(ColorCheckRamped(G, sbc2)) {
              ColorGetRamped(G, sbc2, vv2, rgb2_buf, state);
              rgb2 = rgb2_buf;
            } else {
              rgb2 = ColorGet(G, sbc2);
            }

            copy3f(rgb2, vsp);
            vsp += 3;

            for(d = 0; d < sp->NStrip; d++) {
              for(e = 0; e < (*s); e++) {
                *(vsp++) = sp->dot[*q][0];      /* normal */
                *(vsp++) = sp->dot[*q][1];
                *(vsp++) = sp->dot[*q][2];
                *(vsp++) = vv2[0] + vdw2 * sp->dot[*q][0];      /* point */
                *(vsp++) = vv2[1] + vdw2 * sp->dot[*q][1];
                *(vsp++) = vv2[2] + vdw2 * sp->dot[*q][2];
                q++;
              }
              s++;
            }
            I->NSP++;

            copy3f(rgb2, vspc);
            vspc += 3;
            copy3f(vv2, vspc);
            vspc += 3;
            *(vspc++) = vdw2;
            I->NSPC++;
          }
        }

        if(hide_long && (s1 || s2)) {
          float cutoff = (ati1->vdw + ati2->vdw) * _0p9;
          ai1 = obj->AtomInfo + b1;
          ai2 = obj->AtomInfo + b2;
          if(!within3f(vv1, vv2, cutoff))       /* atoms separated by more than 90% of the sum of their vdw radii */
            s1 = s2 = 0;
        }

        if(s1 || s2) {
          int bd_valence_flag;

          AtomInfoGetBondSetting_b(G, b, cSetting_valence, valence_flag,
                                   &bd_valence_flag);

          if((bd_valence_flag) && (ord > 1) && (ord < 5)) {

            if((c1 == c2) && s1 && s2 && (!ColorCheckRamped(G, c1))) {

              v0 = ColorGet(G, c1);

              RepValence(&v, &I->N,
                         &vr, &I->NR,
                         vv1, vv2, other,
                         a1, a2, cs->Coord,
                         v0, NULL, ord, nEdge,
                         bd_radius, overlap, nub, false, fixed_radius, scale_r);
            } else {
              rgb1 = NULL;
              if(s1) {
                if(ColorCheckRamped(G, c1)) {
                  ColorGetRamped(G, c1, vv1, rgb1_buf, state);
                } else {
                  rgb1 = ColorGet(G, c1);
                  copy3f(rgb1, rgb1_buf);
                }
                rgb1 = rgb1_buf;
              }

              rgb2 = NULL;
              if(s2) {
                if(ColorCheckRamped(G, c2)) {
                  ColorGetRamped(G, c2, vv2, rgb2_buf, state);
                } else {
                  rgb2 = ColorGet(G, c2);
                  copy3f(rgb2, rgb2_buf);
                }
                rgb2 = rgb2_buf;
              }
              RepValence(&v, &I->N,
                         &vr, &I->NR,
                         vv1, vv2, other,
                         a1, a2, cs->Coord,
                         rgb1, rgb2, ord, nEdge,
                         bd_radius, overlap, nub, true, fixed_radius, scale_r);
            }

          } else {

            if((c1 == c2) && s1 && s2 && (!ColorCheckRamped(G, c1))) {

              copy3f(vv1, v1);
              copy3f(vv2, v2);

              v0 = ColorGet(G, c1);

              /* ray-tracing */

              copy3f(v0, vr);
              vr += 3;

              *(vr++) = bd_radius;

              copy3f(v1, vr);
              vr += 3;

              copy3f(v2, vr);
              vr += 3;

              I->NR++;

              /* store color */

              copy3f(v0, v);
              v += 3;

              I->N++;

              /* generate a cylinder */
              v =
                RepCylinder(v, v1, v2, nEdge, caps_req, caps_req, bd_radius, overlap_r,
                            nub_r);
            } else {
              v1[0] = vv1[0];
              v1[1] = vv1[1];
              v1[2] = vv1[2];

              v2[0] = (vv1[0] + vv2[0]) * 0.5F;
              v2[1] = (vv1[1] + vv2[1]) * 0.5F;
              v2[2] = (vv1[2] + vv2[2]) * 0.5F;

              if(s1) {
                if(ColorCheckRamped(G, c1)) {
                  ColorGetRamped(G, c1, v1, vr, state);
                  v0 = vr;
                  vr += 3;
                } else {
                  v0 = ColorGet(G, c1);
                  *(vr++) = *(v0);
                  *(vr++) = *(v0 + 1);
                  *(vr++) = *(v0 + 2);
                }
                *(vr++) = bd_radius;

                *(vr++) = *(v1);
                *(vr++) = *(v1 + 1);
                *(vr++) = *(v1 + 2);

                *(vr++) = *(v2);
                *(vr++) = *(v2 + 1);
                *(vr++) = *(v2 + 2);

                I->NR++;

                *(v++) = *(v0++);
                *(v++) = *(v0++);
                *(v++) = *(v0++);

                I->N++;
                v =
                  RepCylinder(v, v1, v2, nEdge, caps_req, 0, bd_radius, overlap_r, nub_r);
              }

              v1[0] = vv2[0];
              v1[1] = vv2[1];
              v1[2] = vv2[2];

              if(s2) {
                if(ColorCheckRamped(G, c2)) {
                  ColorGetRamped(G, c2, v1, vr, state);
                  v0 = vr;
                  vr += 3;
                } else {
                  v0 = ColorGet(G, c2);

                  *(vr++) = *(v0);
                  *(vr++) = *(v0 + 1);
                  *(vr++) = *(v0 + 2);
                }
                *(vr++) = bd_radius;

                *(vr++) = *(v1);
                *(vr++) = *(v1 + 1);
                *(vr++) = *(v1 + 2);

                *(vr++) = *(v2);
                *(vr++) = *(v2 + 1);
                *(vr++) = *(v2 + 2);

                I->NR++;

                *(v++) = *(v0++);
                *(v++) = *(v0++);
                *(v++) = *(v0++);

                I->N++;
                v =
                  RepCylinder(v, v1, v2, nEdge, caps_req, 0, bd_radius, overlap_r, nub_r);
              }
            }
          }

          if(variable_alpha) {  /* record alpha values for each */
            float bd_alpha = (1.0F - bd_transp);
            while(n_var_alpha < I->N) {
              I->VarAlpha[n_var_alpha++] = bd_alpha;
            }
            while(n_var_alpha_ray < I->NR) {
              I->VarAlphaRay[n_var_alpha_ray++] = bd_alpha;
            }
            while(n_var_alpha_sph < I->NSP) {
              I->VarAlphaSph[n_var_alpha_sph++] = bd_alpha;
            }
          }
        }
      }
      /*      printf("%d\n",(v-I->V)/( (9+6+6) * (nEdge+1) + 3 )); */
      b++;
    }

    PRINTFD(G, FB_RepCylBond)
      " RepCylBond-DEBUG: %d triplets\n", (int) (v - I->V) / 3 ENDFD;

    if((signed) v_size < (v - I->V))
      ErrFatal(G, "RepCylBond", "V array overrun.");
    if((signed) vr_size < (vr - I->VR))
      ErrFatal(G, "RepCylBond", "VR array overrun.");

    I->V = ReallocForSure(I->V, float, (v - I->V));
    I->VR = ReallocForSure(I->VR, float, (vr - I->VR));
    if(I->VSP)
      I->VSP = ReallocForSure(I->VSP, float, (vsp - I->VSP));
    if(I->VSPC)
      I->VSPC = ReallocForSure(I->VSPC, float, (vspc - I->VSPC));
    if(I->VarAlpha)
      I->VarAlpha = ReallocForSure(I->VarAlpha, float, n_var_alpha);
    if(n_var_alpha_ray) {
      if(I->VarAlphaRay)
        I->VarAlphaRay = ReallocForSure(I->VarAlphaRay, float, n_var_alpha_ray);
    } else {
      FreeP(I->VarAlphaRay);
    }
    if(n_var_alpha_sph) {
      if(I->VarAlphaSph)
        I->VarAlphaSph = ReallocForSure(I->VarAlphaSph, float, n_var_alpha_sph);
    } else {
      FreeP(I->VarAlphaSph);
    }

    if(SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_pickable)) {

      PRINTFD(G, FB_RepCylBond)
        " RepCylBondNEW: generating pickable version\n" ENDFD;
      /* pickable versions are simply capped boxes, 
         vertices: 8 points * 3 = 32  * 2 = 48 floats per bond
       */

      vp_size = maxCyl * 24;
      I->VP = Alloc(float, vp_size);
      ErrChkPtr(G, I->VP);

      rp_size = maxCyl + 1;
      I->R.P = Alloc(Pickable, rp_size);
      ErrChkPtr(G, I->R.P);
      rp = I->R.P + 1;          /* skip first record! */
      I->R.context.object = (void *) obj;
      I->R.context.state = state;

      v = I->VP;
      b = obj->Bond;
      for(a = 0; a < obj->NBond; a++) {
        b1 = b->index[0];
        b2 = b->index[1];
        if(obj->DiscreteFlag) {
          if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
            a1 = obj->DiscreteAtmToIdx[b1];
            a2 = obj->DiscreteAtmToIdx[b2];
          } else {
            a1 = -1;
            a2 = -1;
          }
        } else {
          a1 = cs->AtmToIdx[b1];
          a2 = cs->AtmToIdx[b2];
        }
        if((a1 >= 0) && (a2 >= 0)) {
          ai1 = obj->AtomInfo + b1;
          ai2 = obj->AtomInfo + b2;
          s1 = ai1->visRep[cRepCyl];
          s2 = ai2->visRep[cRepCyl];

          if(!(s1 && s2)) {
            if(!half_bonds) {
              s1 = 0;
              s2 = 0;
            }
          }

          if(s1 || s2) {
            float bd_radius;
            float overlap_r, nub_r;

            AtomInfoGetBondSetting_f(G, b, cSetting_stick_radius, radius, &bd_radius);

            overlap_r = overlap * bd_radius;
            nub_r = nub * bd_radius;

            copy3f(cs->Coord + 3 * a1, v1);
            copy3f(cs->Coord + 3 * a2, v2);

            h[0] = (v1[0] + v2[0]) / 2;
            h[1] = (v1[1] + v2[1]) / 2;
            h[2] = (v1[2] + v2[2]) / 2;

            if(s1 & (!ai1->masked)) {
              I->NP++;
              rp->index = b1;
              rp->bond = a;
              rp++;

              v = RepCylinderBox(v, v1, h, bd_radius, overlap_r, nub_r);
            }
            if(s2 & (!ai2->masked)) {
              I->NP++;
              rp->index = b2;
              rp->bond = a;
              rp++;

              v = RepCylinderBox(v, h, v2, bd_radius, overlap_r, nub_r);
            }
          }
        }
        b++;
      }

      if((signed) vp_size < (v - I->VP))
        ErrFatal(G, "RepCylBond", "VP array overrun.");
      if((signed) rp_size <= (I->NP))
        ErrFatal(G, "RepCylBond", "RP array overrun.");

      I->R.P = Realloc(I->R.P, Pickable, I->NP + 1);
      I->R.P[0].index = I->NP;
      I->VP = ReallocForSure(I->VP, float, (v - I->VP));

      PRINTFD(G, FB_RepCylBond)
        " RepCylBondNew: I->NP: %d I->VP: %p\n", I->NP, (void *) I->VP ENDFD;
    }
  }
  FreeP(other);
  FreeP(marked);
  return ((void *) (struct Rep *) I);
}

static void subdivide(int n, float *x, float *y)
{
  int a;
  if(n < 3) {
    n = 3;
  }
  for(a = 0; a <= n; a++) {
    x[a] = (float) cos(a * 2 * PI / n);
    y[a] = (float) sin(a * 2 * PI / n);
  }
}

float *RepCylinderBox(float *v, float *vv1, float *vv2,
                      float tube_size, float overlap, float nub)
{

  float d[3], t[3], p0[3], p1[3], p2[3], n[3];
  float v1[3], v2[3];

  tube_size *= 0.7F;

  overlap += (nub / 2);

  /* direction vector */

  subtract3f(vv2, vv1, p0);

  normalize3f(p0);

  v1[0] = vv1[0] - p0[0] * overlap;
  v1[1] = vv1[1] - p0[1] * overlap;
  v1[2] = vv1[2] - p0[2] * overlap;

  v2[0] = vv2[0] + p0[0] * overlap;
  v2[1] = vv2[1] + p0[1] * overlap;
  v2[2] = vv2[2] + p0[2] * overlap;

  d[0] = (v2[0] - v1[0]);
  d[1] = (v2[1] - v1[1]);
  d[2] = (v2[2] - v1[2]);

  /*  t[0] = d[1];
     t[1] = d[2];
     t[2] = -d[0];
   */
  get_divergent3f(d, t);

  cross_product3f(d, t, p1);

  normalize3f(p1);

  cross_product3f(d, p1, p2);

  normalize3f(p2);

  /* now we have a coordinate system */

  n[0] = p1[0] * tube_size * (-1) + p2[0] * tube_size * (-1);
  n[1] = p1[1] * tube_size * (-1) + p2[1] * tube_size * (-1);
  n[2] = p1[2] * tube_size * (-1) + p2[2] * tube_size * (-1);

  v[0] = v1[0] + n[0];
  v[1] = v1[1] + n[1];
  v[2] = v1[2] + n[2];

  v[3] = v[0] + d[0];
  v[4] = v[1] + d[1];
  v[5] = v[2] + d[2];

  v += 6;

  n[0] = p1[0] * tube_size * (1) + p2[0] * tube_size * (-1);
  n[1] = p1[1] * tube_size * (1) + p2[1] * tube_size * (-1);
  n[2] = p1[2] * tube_size * (1) + p2[2] * tube_size * (-1);

  v[0] = v1[0] + n[0];
  v[1] = v1[1] + n[1];
  v[2] = v1[2] + n[2];

  v[3] = v[0] + d[0];
  v[4] = v[1] + d[1];
  v[5] = v[2] + d[2];

  v += 6;

  n[0] = p1[0] * tube_size * (1) + p2[0] * tube_size * (1);
  n[1] = p1[1] * tube_size * (1) + p2[1] * tube_size * (1);
  n[2] = p1[2] * tube_size * (1) + p2[2] * tube_size * (1);

  v[0] = v1[0] + n[0];
  v[1] = v1[1] + n[1];
  v[2] = v1[2] + n[2];

  v[3] = v[0] + d[0];
  v[4] = v[1] + d[1];
  v[5] = v[2] + d[2];

  v += 6;

  n[0] = p1[0] * tube_size * (-1) + p2[0] * tube_size * (1);
  n[1] = p1[1] * tube_size * (-1) + p2[1] * tube_size * (1);
  n[2] = p1[2] * tube_size * (-1) + p2[2] * tube_size * (1);

  v[0] = v1[0] + n[0];
  v[1] = v1[1] + n[1];
  v[2] = v1[2] + n[2];

  v[3] = v[0] + d[0];
  v[4] = v[1] + d[1];
  v[5] = v[2] + d[2];

  v += 6;

  return (v);
}

float *RepCylinder(float *v, float *v1, float *v2, int nEdge,
                   int frontCap, int endCap, float tube_size, float overlap, float nub)
{

  float d[3], t[3], p0[3], p1[3], p2[3];
  float x[51], y[51];
  int c;

  if(nEdge > 50)
    nEdge = 50;

  subdivide(nEdge, x, y);       /* NOTE: lift this out... */

  /* direction vector */

  p0[0] = (v2[0] - v1[0]);
  p0[1] = (v2[1] - v1[1]);
  p0[2] = (v2[2] - v1[2]);

  normalize3f(p0);

  v1[0] -= p0[0] * overlap;
  v1[1] -= p0[1] * overlap;
  v1[2] -= p0[2] * overlap;

  if(endCap) {
    v2[0] += p0[0] * overlap;
    v2[1] += p0[1] * overlap;
    v2[2] += p0[2] * overlap;
  }

  d[0] = (v2[0] - v1[0]);
  d[1] = (v2[1] - v1[1]);
  d[2] = (v2[2] - v1[2]);

  /*  t[0] = d[1];
     t[1] = d[2];
     t[2] = -d[0]; */

  get_divergent3f(d, t);

  cross_product3f(d, t, p1);

  normalize3f(p1);

  cross_product3f(d, p1, p2);

  normalize3f(p2);

  /* now we have a coordinate system */

  for(c = nEdge; c >= 0; c--) {
    v[0] = p1[0] * tube_size * x[c] + p2[0] * tube_size * y[c];
    v[1] = p1[1] * tube_size * x[c] + p2[1] * tube_size * y[c];
    v[2] = p1[2] * tube_size * x[c] + p2[2] * tube_size * y[c];

    v[3] = v1[0] + v[0];
    v[4] = v1[1] + v[1];
    v[5] = v1[2] + v[2];

    v[6] = v[3] + d[0];
    v[7] = v[4] + d[1];
    v[8] = v[5] + d[2];

    normalize3f(v);
    v += 9;
  }

  if(frontCap) {

    *(v++) = 1.0;
    v[0] = -p0[0];
    v[1] = -p0[1];
    v[2] = -p0[2];

    v[3] = v1[0] - p0[0] * nub;
    v[4] = v1[1] - p0[1] * nub;
    v[5] = v1[2] - p0[2] * nub;

    v += 6;

    for(c = nEdge; c >= 0; c--) {

      v[0] = p1[0] * tube_size * x[c] + p2[0] * tube_size * y[c];
      v[1] = p1[1] * tube_size * x[c] + p2[1] * tube_size * y[c];
      v[2] = p1[2] * tube_size * x[c] + p2[2] * tube_size * y[c];

      v[3] = v1[0] + v[0];
      v[4] = v1[1] + v[1];
      v[5] = v1[2] + v[2];

      v += 6;
    }
  } else {
    *(v++) = 0.0F;
  }

  if(endCap) {
    *(v++) = 1.0;
    v[0] = p0[0];
    v[1] = p0[1];
    v[2] = p0[2];

    v[3] = v2[0] + p0[0] * nub;
    v[4] = v2[1] + p0[1] * nub;
    v[5] = v2[2] + p0[2] * nub;

    v += 6;

    for(c = 0; c <= nEdge; c++) {

      v[0] = p1[0] * tube_size * x[c] + p2[0] * tube_size * y[c];
      v[1] = p1[1] * tube_size * x[c] + p2[1] * tube_size * y[c];
      v[2] = p1[2] * tube_size * x[c] + p2[2] * tube_size * y[c];

      v[3] = v2[0] + v[0];
      v[4] = v2[1] + v[1];
      v[5] = v2[2] + v[2];

      v += 6;
    }
  } else {
    *(v++) = 0.0F;
  }

  return (v);
}

static void RepCylinderImmediate(float *v1, float *v2, int nEdge,
                                 int frontCap, int endCap,
                                 float overlap, float nub, float *x, float *y)
{
  float d[3], t[3], p0[3], p1[3], p2[3];
  float vv1[3], vv2[3];
  float v[3], vv[3], vvv[3];
  int c;

  /* direction vector */

  p0[0] = (v2[0] - v1[0]);
  p0[1] = (v2[1] - v1[1]);
  p0[2] = (v2[2] - v1[2]);

  normalize3f(p0);

  vv1[0] = v1[0] - p0[0] * overlap;
  vv1[1] = v1[1] - p0[1] * overlap;
  vv1[2] = v1[2] - p0[2] * overlap;

  v1 = vv1;

  if(endCap) {
    vv2[0] = v2[0] + p0[0] * overlap;
    vv2[1] = v2[1] + p0[1] * overlap;
    vv2[2] = v2[2] + p0[2] * overlap;
    v2 = vv2;
  }

  d[0] = (v2[0] - v1[0]);
  d[1] = (v2[1] - v1[1]);
  d[2] = (v2[2] - v1[2]);

  get_divergent3f(d, t);

  cross_product3f(d, t, p1);

  normalize3f(p1);

  cross_product3f(d, p1, p2);

  normalize3f(p2);

  /* now we have a coordinate system */

  glBegin(GL_TRIANGLE_STRIP);

  for(c = nEdge; c >= 0; c--) {
    v[0] = p1[0] * x[c] + p2[0] * y[c];
    v[1] = p1[1] * x[c] + p2[1] * y[c];
    v[2] = p1[2] * x[c] + p2[2] * y[c];

    vv[0] = v1[0] + v[0];
    vv[1] = v1[1] + v[1];
    vv[2] = v1[2] + v[2];

    glNormal3fv(v);

    vvv[0] = vv[0] + d[0];
    vvv[1] = vv[1] + d[1];
    vvv[2] = vv[2] + d[2];

    glVertex3fv(vv);
    glVertex3fv(vvv);
  }
  glEnd();

  if(frontCap) {

    glBegin(GL_TRIANGLE_FAN);

    v[0] = -p0[0];
    v[1] = -p0[1];
    v[2] = -p0[2];

    vv[0] = v1[0] - p0[0] * nub;
    vv[1] = v1[1] - p0[1] * nub;
    vv[2] = v1[2] - p0[2] * nub;

    glNormal3fv(v);
    glVertex3fv(vv);

    for(c = nEdge; c >= 0; c--) {

      v[0] = p1[0] * x[c] + p2[0] * y[c];
      v[1] = p1[1] * x[c] + p2[1] * y[c];
      v[2] = p1[2] * x[c] + p2[2] * y[c];

      vv[0] = v1[0] + v[0];
      vv[1] = v1[1] + v[1];
      vv[2] = v1[2] + v[2];

      glNormal3fv(v);
      glVertex3fv(vv);
    }

    glEnd();
  }

  if(endCap) {

    v[0] = p0[0];
    v[1] = p0[1];
    v[2] = p0[2];

    vv[0] = v2[0] + p0[0] * nub;
    vv[1] = v2[1] + p0[1] * nub;
    vv[2] = v2[2] + p0[2] * nub;

    glBegin(GL_TRIANGLE_FAN);

    glNormal3fv(v);
    glVertex3fv(vv);

    for(c = 0; c <= nEdge; c++) {

      v[0] = p1[0] * x[c] + p2[0] * y[c];
      v[1] = p1[1] * x[c] + p2[1] * y[c];
      v[2] = p1[2] * x[c] + p2[2] * y[c];

      vv[0] = v2[0] + v[0];
      vv[1] = v2[1] + v[1];
      vv[2] = v2[2] + v[2];
      glNormal3fv(v);
      glVertex3fv(vv);
    }
    glEnd();
  }
}

void RepCylBondRenderImmediate(CoordSet * cs, RenderInfo * info)
{
  /* performance optimized, so it does not support the following:

     - anything other than opengl
     - display of bond valences
     - per-bond & per-atom properties
     - half-bonds
     - helper settings such as cartoon_side_chain_helper
     - suppression of long bonds
     - color ramps
     - atom picking
     - display lists
     - transparency 

   */

  PyMOLGlobals *G = cs->State.G;
  if(info->ray || info->pick || (!(G->HaveGUI && G->ValidContext)))
    return;
  else {
    int active = false;
    ObjectMolecule *obj = cs->Obj;
    int nEdge = SettingGet_i(G, cs->Setting, obj->Obj.Setting, cSetting_stick_quality);
    float radius =
      fabs(SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_radius));
    float overlap =
      SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_overlap);
    float nub = SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_stick_nub);
    float overlap_r = radius * overlap;
    float nub_r = radius * nub;
    float x[51], y[51];

    if(nEdge > 50)
      nEdge = 50;

    subdivide(nEdge, x, y);
    {
      int c;
      for(c = 0; c <= nEdge; c++) {
        x[c] *= radius;
        y[c] *= radius;
      }
    }

    {
      int a;
      int nBond = obj->NBond;
      BondType *bd = obj->Bond;
      AtomInfoType *ai = obj->AtomInfo;
      int *atm2idx = cs->AtmToIdx;
      int discreteFlag = obj->DiscreteFlag;
      int last_color = -9;
      float *coord = cs->Coord;
      const float _pt5 = 0.5F;

      for(a = 0; a < nBond; a++) {
        int b1 = bd->index[0];
        int b2 = bd->index[1];
        AtomInfoType *ai1, *ai2;
        bd++;

        if((ai1 = ai + b1)->visRep[cRepCyl] && (ai2 = ai + b2)->visRep[cRepCyl]) {
          int a1, a2;
          active = true;
          if(discreteFlag) {
            /* not optimized */
            if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
              a1 = obj->DiscreteAtmToIdx[b1];
              a2 = obj->DiscreteAtmToIdx[b2];
            } else {
              a1 = -1;
              a2 = -1;
            }
          } else {
            a1 = atm2idx[b1];
            a2 = atm2idx[b2];
          }

          if((a1 >= 0) && (a2 >= 0)) {
            int c1 = ai1->color;
            int c2 = ai2->color;

            float *v1 = coord + 3 * a1;
            float *v2 = coord + 3 * a2;

            if(c1 == c2) {      /* same colors -> one cylinder */
              if(c1 != last_color) {
                last_color = c1;
                glColor3fv(ColorGet(G, c1));
              }

              RepCylinderImmediate(v1, v2, nEdge, 1, 1, overlap_r, nub_r, x, y);

            } else {            /* different colors -> two cylinders, no interior */
              float avg[3];

              avg[0] = (v1[0] + v2[0]) * _pt5;
              avg[1] = (v1[1] + v2[1]) * _pt5;
              avg[2] = (v1[2] + v2[2]) * _pt5;

              if(c1 != last_color) {
                last_color = c1;
                glColor3fv(ColorGet(G, c1));
              }

              RepCylinderImmediate(v1, avg, nEdge, 1, 0, overlap_r, nub_r, x, y);

              if(c2 != last_color) {
                last_color = c2;
                glColor3fv(ColorGet(G, c2));
              }

              RepCylinderImmediate(v2, avg, nEdge, 1, 0, overlap_r, nub_r, x, y);
            }
          }
        }
      }
    }
    if(!active)
      cs->Active[cRepCyl] = false;
  }
}

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