src/gmxlib/3dview.c

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
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  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
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  29  *
  30  * For more info, check our website at http://www.gromacs.org
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  32  * And Hey:
  33  * GROningen Mixture of Alchemy and Childrens' Stories
  34  */
  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #include <math.h>
  40 #include "sysstuff.h"
  41 #include "smalloc.h"
  42 #include "macros.h"
  43 #include "physics.h"
  44 #include "3dview.h"
  45 #include "pbc.h"
  46 #include "vec.h"
  47
  48 #define N 4
  49
  50 void m4_op(mat4 m,rvec x,vec4 v)
  51 {
  52   int i;
  53
  54   for(i=0; (i<N); i++)
  55     v[i]=m[XX][i]*x[XX]+m[YY][i]*x[YY]+m[ZZ][i]*x[ZZ]+m[WW][i];
  56 }
  57
  58 void unity_m4(mat4 m)
  59 {
  60   int i,j;
  61
  62   for(i=0; (i<N); i++)
  63     for(j=0; (j<N); j++)
  64       if (i==j)
  65         m[i][j]=1.0;
  66       else
  67         m[i][j]=0.0;
  68 }
  69
  70 void print_m4(FILE *fp,const char *s,mat4 A)
  71 {
  72   int i,j;
  73
  74   if (fp) {
  75     fprintf(fp,"%s: ",s);
  76     for (i=0; i<N; i++) {
  77       fprintf(fp,"\t");
  78       for (j=0; j<N; j++)
  79         fprintf(fp,"%10.5f",A[i][j]);
  80       fprintf(fp,"\n");
  81     }
  82   }
  83 }
  84
  85 void print_v4(FILE *fp,char *s,int dim,real *a)
  86 {
  87   int j;
  88
  89   if (fp) {
  90     fprintf(fp,"%s: ",s);
  91     for (j=0; j<dim; j++)
  92       fprintf(fp,"%10.5f",a[j]);
  93     fprintf(fp,"\n");
  94   }
  95 }
  96
  97 void mult_matrix(mat4 A, mat4 B, mat4 C)
  98 {
  99   int i,j,k;
 100
 101   for (i=0; i<N; i++)
 102     for (j=0; j<N; j++) {
 103       A[i][j]=0;
 104       for(k=0; (k<N); k++)
 105         A[i][j]+=B[i][k]*C[k][j];
 106     }
 107 }
 108
 109 void rotate(int axis, real angle, mat4 A)
 110 {
 111   unity_m4(A);
 112
 113   switch (axis) {
 114   case XX:
 115     A[YY][YY] =  cos(angle);
 116     A[YY][ZZ] = -sin(angle);
 117     A[ZZ][YY] =  sin(angle);
 118     A[ZZ][ZZ] =  cos(angle);
 119     break;
 120   case YY:
 121     A[XX][XX] =  cos(angle);
 122     A[XX][ZZ] =  sin(angle);
 123     A[ZZ][XX] = -sin(angle);
 124     A[ZZ][ZZ] =  cos(angle);
 125     break;
 126   case ZZ:
 127     A[XX][XX] =  cos(angle);
 128     A[XX][YY] = -sin(angle);
 129     A[YY][XX] =  sin(angle);
 130     A[YY][YY] =  cos(angle);
 131     break;
 132   default:
 133     gmx_fatal(FARGS,"Error: invalid axis: %d",axis);
 134   }
 135 }
 136
 137 void translate(real tx, real ty, real tz, mat4 A)
 138 {
 139   unity_m4(A);
 140   A[3][XX] = tx;
 141   A[3][YY] = ty;
 142   A[3][ZZ] = tz;
 143 }
 144
 145 static void set_scale(t_3dview *view,real sx, real sy)
 146 {
 147   view->sc_x=sx;
 148   view->sc_y=sy;
 149 }
 150
 151 void calculate_view(t_3dview *view)
 152 {
 153 #define SMALL 1e-6
 154   mat4 To,Te,T1,T2,T3,T4,T5,N1,D1,D2,D3,D4,D5;
 155   real dx,dy,dz,l,r;
 156
 157   /* eye center */
 158   dx=view->eye[XX];
 159   dy=view->eye[YY];
 160   dz=view->eye[ZZ];
 161   l = sqrt(dx*dx+dy*dy+dz*dz);
 162   r = sqrt(dx*dx+dy*dy);
 163 #ifdef DEBUG
 164   print_v4(debug,"eye",N,view->eye);
 165   printf("del: %10.5f%10.5f%10.5f l: %10.5f, r: %10.5f\n",dx,dy,dz,l,r);
 166 #endif
 167   if (l < SMALL)
 168     gmx_fatal(FARGS,"Error: Zero Length Vector - No View Specified");
 169   translate((real)(-view->origin[XX]),
 170             (real)(-view->origin[YY]),(real)(-view->origin[ZZ]),To);
 171   translate((real)(-view->eye[XX]),
 172             (real)(-view->eye[YY]),(real)(-view->eye[ZZ]),Te);
 173
 174   unity_m4(T2);
 175   T2[YY][YY]=0, T2[YY][ZZ]=-1, T2[ZZ][YY]=1, T2[ZZ][ZZ]=0;
 176
 177   unity_m4(T3);
 178   if (r > 0)
 179     T3[XX][XX]=-dy/r, T3[XX][ZZ]=dx/r, T3[ZZ][XX]=-dx/r, T3[ZZ][ZZ]=-dy/r;
 180
 181   unity_m4(T4);
 182   T4[YY][YY]=r/l, T4[YY][ZZ]=dz/l, T4[ZZ][YY]=-dz/l, T4[ZZ][ZZ]=r/l;
 183
 184   unity_m4(T5);
 185   T5[ZZ][ZZ]=-1;
 186
 187   unity_m4(N1);
 188   /* N1[XX][XX]=4,N1[YY][YY]=4; */
 189
 190   mult_matrix(T1,To,view->Rot);
 191   mult_matrix(D1,Te,T2);
 192   mult_matrix(D2,T3,T4);
 193   mult_matrix(D3,T5,N1);
 194   mult_matrix(D4,T1,D1);
 195   mult_matrix(D5,D2,D3);
 196
 197   mult_matrix(view->proj,D4,D5);
 198
 199 #ifdef DEBUG
 200   print_m4(debug,"T1",T1);
 201   print_m4(debug,"T2",T2);
 202   print_m4(debug,"T3",T3);
 203   print_m4(debug,"T4",T4);
 204   print_m4(debug,"T5",T5);
 205   print_m4(debug,"N1",N1);
 206   print_m4(debug,"Rot",view->Rot);
 207   print_m4(debug,"Proj",view->proj);
 208 #endif
 209 }
 210
 211 bool zoom_3d(t_3dview *view,real fac)
 212 {
 213   real dr;
 214   real bm,dr1,dr2;
 215   int  i;
 216
 217   dr2=0;
 218   for(i=0; (i<DIM); i++) {
 219     dr=view->eye[i];
 220     dr2+=dr*dr;
 221   }
 222   dr1=sqrt(dr2);
 223   if (fac < 1) {
 224     bm=max(norm(view->box[XX]),max(norm(view->box[YY]),norm(view->box[ZZ])));
 225     if (dr1*fac < 1.1*bm) /* Don't come to close */
 226       return FALSE;
 227   }
 228
 229   for(i=0; (i<DIM); i++)
 230     view->eye[i]*=fac;
 231   calculate_view(view);
 232   return TRUE;
 233 }
 234
 235 void init_rotate_3d(t_3dview *view)
 236 {
 237   real rot=DEG2RAD*15;
 238   int i;
 239
 240   for(i=0; (i<DIM); i++) {
 241     rotate(i,        rot ,view->RotP[i]);
 242     rotate(i,(real)(-rot),view->RotM[i]);
 243 #ifdef DEBUG
 244     print_m4(debug,"RotP",view->RotP[i]);
 245     print_m4(debug,"RotM",view->RotM[i]);
 246 #endif
 247   }
 248 }
 249
 250
 251 void rotate_3d(t_3dview *view,int axis,bool bPositive)
 252 {
 253   int  i,j;
 254   mat4 m4;
 255
 256   if (bPositive)
 257     mult_matrix(m4,view->Rot,view->RotP[axis]);
 258   else
 259     mult_matrix(m4,view->Rot,view->RotM[axis]);
 260   for(i=0; (i<N); i++)
 261     for(j=0; (j<N); j++)
 262     view->Rot[i][j]=m4[i][j];
 263
 264   calculate_view(view);
 265 }
 266
 267 void translate_view(t_3dview *view,int axis,bool bPositive)
 268 {
 269 #ifdef DEBUG
 270   printf("Translate called\n");
 271 #endif
 272   if (bPositive)
 273     view->origin[axis]+=view->box[axis][axis]/8;
 274   else
 275     view->origin[axis]-=view->box[axis][axis]/8;
 276   calculate_view(view);
 277 }
 278
 279 void reset_view(t_3dview *view)
 280 {
 281   int  i;
 282
 283 #ifdef DEBUG
 284   printf("Reset view called\n");
 285 #endif
 286   set_scale(view,4.0,4.0);
 287   clear_rvec(view->eye);
 288   calc_box_center(view->ecenter,view->box,view->origin);
 289   view->eye[ZZ]=3.0*max(view->box[XX][XX],view->box[YY][YY]);
 290   zoom_3d(view,1.0);
 291   view->eye[WW]=view->origin[WW]=0.0;
 292
 293   /* Initiate the matrix */
 294   unity_m4(view->Rot);
 295   calculate_view(view);
 296
 297   init_rotate_3d(view);
 298 }
 299
 300 t_3dview *init_view(matrix box)
 301 {
 302   t_3dview *view;
 303   int      i,j;
 304
 305   snew(view,1);
 306
 307   /* Copy parameters into variables */
 308   for(i=0; (i<DIM); i++)
 309     for(j=0; (j<DIM); j++)
 310       view->box[i][j]=box[i][j];
 311
 312   view->ecenter = ecenterDEF;
 313
 314   reset_view(view);
 315
 316   return view;
 317 }
 318