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00006
00007 #include "cell.hh"
00008 #include "container.hh"
00009
00010
00011
00012
00013
00014
00015 template<class r_option>
00016 container_base<r_option>::container_base(fpoint xa,fpoint xb,fpoint ya,fpoint yb,fpoint za,fpoint zb,
00017 int xn,int yn,int zn,bool xper,bool yper,bool zper,int memi)
00018 : ax(xa),bx(xb),ay(ya),by(yb),az(za),bz(zb),
00019 xsp(xn/(xb-xa)),ysp(yn/(yb-ya)),zsp(zn/(zb-za)),
00020 nx(xn),ny(yn),nz(zn),nxy(xn*yn),nxyz(xn*yn*zn),
00021 hx(xper?2*xn+1:xn),hy(yper?2*yn+1:yn),hz(zper?2*zn+1:zn),hxy(hx*hy),hxyz(hx*hy*hz),
00022 xperiodic(xper),yperiodic(yper),zperiodic(zper),
00023 mv(0),wall_number(0),current_wall_size(init_wall_size),
00024 radius(this),sz(radius.mem_size) {
00025 int l;
00026 co=new int[nxyz];
00027 for(l=0;l<nxyz;l++) co[l]=0;
00028 mem=new int[nxyz];
00029 for(l=0;l<nxyz;l++) mem[l]=memi;
00030 id=new int*[nxyz];
00031 for(l=0;l<nxyz;l++) id[l]=new int[memi];
00032 p=new fpoint*[nxyz];
00033 for(l=0;l<nxyz;l++) p[l]=new fpoint[sz*memi];
00034 mask=new unsigned int[hxyz];
00035 for(l=0;l<hxyz;l++) mask[l]=0;
00036 s_size=3*(hxy+hz*(hx+hy));if(s_size<18) s_size=18;
00037 sl=new int[s_size];
00038 walls=new wall*[current_wall_size];
00039 mrad=new fpoint[hgridsq*seq_length];
00040 initialize_radii();
00041 }
00042
00043
00044
00045
00046
00047
00048
00049
00050
00051
00052 template<class r_option>
00053 void container_base<r_option>::initialize_radii() {
00054 const unsigned int b1=1<<21,b2=1<<22,b3=1<<24,b4=1<<25,b5=1<<27,b6=1<<28;
00055 const fpoint xstep=(bx-ax)/nx/fgrid;
00056 const fpoint ystep=(by-ay)/ny/fgrid;
00057 const fpoint zstep=(bz-az)/nz/fgrid;
00058 int i,j,k,lx,ly,lz,l=0,q;
00059 unsigned int *e=const_cast<unsigned int*> (wl);
00060 fpoint xlo,ylo,zlo,xhi,yhi,zhi,minr;fpoint *radp=mrad;
00061 unsigned int f,qq;
00062 for(zlo=0,zhi=zstep,lz=0;lz<hgrid;zlo=zhi,zhi+=zstep,lz++) {
00063 for(ylo=0,yhi=ystep,ly=0;ly<hgrid;ylo=yhi,yhi+=ystep,ly++) {
00064 for(xlo=0,xhi=xstep,lx=0;lx<hgrid;xlo=xhi,xhi+=xstep,l++,lx++) {
00065 minr=large_number;
00066 for(q=e[0]+1;q<seq_length;q++) {
00067 f=e[q];
00068 i=(f&127)-64;
00069 j=(f>>7&127)-64;
00070 k=(f>>14&127)-64;qq=f>>21;
00071 if((f&b2)==b2) {
00072 compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i-1,j,k);
00073 if((f&b1)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i+1,j,k);
00074 } else if((f&b1)==b1) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i+1,j,k);
00075 if((f&b4)==b4) {
00076 compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j-1,k);
00077 if((f&b3)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j+1,k);
00078 } else if((f&b3)==b3) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j+1,k);
00079 if((f&b6)==b6) {
00080 compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k-1);
00081 if((f&b5)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k+1);
00082 } else if((f&b5)==b5) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k+1);
00083 }
00084 q--;
00085 while(q>0) {
00086 radp[q]=minr;
00087 f=e[q];
00088 i=(f&127)-64;
00089 j=(f>>7&127)-64;
00090 k=(f>>14&127)-64;
00091 compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k);
00092 q--;
00093 }
00094 radp[0]=minr;
00095 e+=seq_length;
00096 radp+=seq_length;
00097 }
00098 }
00099 }
00100 }
00101
00102
00103
00104
00105
00106
00107
00108
00109
00110
00111
00112 template<class r_option>
00113 inline void container_base<r_option>::compute_minimum(fpoint &minr,fpoint &xlo,fpoint &xhi,fpoint &ylo,fpoint &yhi,fpoint &zlo,fpoint &zhi,int ti,int tj,int tk) {
00114 const fpoint boxx=(bx-ax)/nx,boxy=(by-ay)/ny,boxz=(bz-az)/nz;
00115 fpoint radsq,temp;
00116 if(ti>0) {temp=boxx*ti-xhi;radsq=temp*temp;}
00117 else if(ti<0) {temp=xlo-boxx*(1+ti);radsq=temp*temp;}
00118 else radsq=0;
00119
00120 if(tj>0) {temp=boxy*tj-yhi;radsq+=temp*temp;}
00121 else if(tj<0) {temp=ylo-boxy*(1+tj);radsq+=temp*temp;}
00122
00123 if(tk>0) {temp=boxz*tk-zhi;radsq+=temp*temp;}
00124 else if(tk<0) {temp=zlo-boxz*(1+tk);radsq+=temp*temp;}
00125
00126 if(radsq<minr) minr=radsq;
00127 }
00128
00129
00130 template<class r_option>
00131 container_base<r_option>::~container_base() {
00132 int l;
00133 for(l=0;l<nxyz;l++) delete [] p[l];
00134 for(l=0;l<nxyz;l++) delete [] id[l];
00135 delete [] p;
00136 delete [] id;
00137 delete [] mem;
00138 delete [] co;
00139 delete [] mask;
00140 delete [] sl;
00141 delete [] walls;
00142 delete [] mrad;
00143 }
00144
00145
00146 template<class r_option>
00147 void container_base<r_option>::draw_particles(ostream &os) {
00148 int c,l,i;
00149 for(l=0;l<nxyz;l++) {
00150 for(c=0;c<co[l];c++) {
00151 os << id[l][c];
00152 for(i=sz*c;i<sz*(c+1);i++) os << " " << p[l][i];
00153 os << "\n";
00154 }
00155 }
00156 }
00157
00158
00159
00160 template<class r_option>
00161 void container_base<r_option>::draw_particles() {
00162 draw_particles(cin);
00163 }
00164
00165
00166
00167
00168 template<class r_option>
00169 void container_base<r_option>::draw_particles(const char *filename) {
00170 ofstream os;
00171 os.open(filename,ofstream::out|ofstream::trunc);
00172 draw_particles(os);
00173 os.close();
00174 }
00175
00176
00177 template<class r_option>
00178 void container_base<r_option>::draw_particles_pov(ostream &os) {
00179 int l,c;
00180 for(l=0;l<nxyz;l++) {
00181 for(c=0;c<co[l];c++) {
00182 os << "// id " << id[l][c] << "\n";
00183 os << "sphere{<" << p[l][sz*c] << "," << p[l][sz*c+1] << ","
00184 << p[l][sz*c+2] << ">,";
00185 radius.rad(os,l,c);
00186 os << "}\n";
00187 }
00188 }
00189 }
00190
00191
00192
00193 template<class r_option>
00194 void container_base<r_option>::draw_particles_pov() {
00195 draw_particles_pov(cin);
00196 }
00197
00198
00199
00200
00201 template<class r_option>
00202 void container_base<r_option>::draw_particles_pov(const char *filename) {
00203 ofstream os;
00204 os.open(filename,ofstream::out|ofstream::trunc);
00205 draw_particles_pov(os);
00206 os.close();
00207 }
00208
00209
00210 template<class r_option>
00211 void container_base<r_option>::put(int n,fpoint x,fpoint y,fpoint z) {
00212 if(x>ax&&y>ay&&z>az) {
00213 int i,j,k;
00214 i=int((x-ax)*xsp);j=int((y-ay)*ysp);k=int((z-az)*zsp);
00215 if(i<nx&&j<ny&&k<nz) {
00216 i+=nx*j+nxy*k;
00217 if(co[i]==mem[i]) add_particle_memory(i);
00218 p[i][sz*co[i]]=x;p[i][sz*co[i]+1]=y;p[i][sz*co[i]+2]=z;
00219 radius.store_radius(i,co[i],0.5);
00220 id[i][co[i]++]=n;
00221 }
00222 }
00223 }
00224
00225
00226
00227
00228
00229 template<class r_option>
00230 void container_base<r_option>::put(int n,fpoint x,fpoint y,fpoint z,fpoint r) {
00231 if(x>ax&&y>ay&&z>az) {
00232 int i,j,k;
00233 i=int((x-ax)*xsp);j=int((y-ay)*ysp);k=int((z-az)*zsp);
00234 if(i<nx&&j<ny&&k<nz) {
00235 i+=nx*j+nxy*k;
00236 if(co[i]==mem[i]) add_particle_memory(i);
00237 p[i][sz*co[i]]=x;p[i][sz*co[i]+1]=y;p[i][sz*co[i]+2]=z;
00238 radius.store_radius(i,co[i],r);
00239 id[i][co[i]++]=n;
00240 }
00241 }
00242 }
00243
00244
00245 template<class r_option>
00246 void container_base<r_option>::add_particle_memory(int i) {
00247 int *idp;fpoint *pp;
00248 int l,nmem=2*mem[i];
00249 #if VOROPP_VERBOSE >=3
00250 cerr << "Particle memory in region " << i << " scaled up to " << nmem << endl;
00251 #endif
00252 if(nmem>max_particle_memory) throw fatal_error("Absolute maximum memory allocation exceeded");
00253 idp=new int[nmem];
00254 for(l=0;l<co[i];l++) idp[l]=id[i][l];
00255 pp=new fpoint[sz*nmem];
00256 for(l=0;l<sz*co[i];l++) pp[l]=p[i][l];
00257 mem[i]=nmem;
00258 delete [] id[i];id[i]=idp;
00259 delete [] p[i];p[i]=pp;
00260 }
00261
00262
00263 template<class r_option>
00264 inline void container_base<r_option>::add_list_memory() {
00265 int i,j=0,*ps;
00266 ps=new int[s_size*2];
00267 #if VOROPP_VERBOSE >=2
00268 cerr << "List memory scaled up to " << s_size*2 << endl;
00269 #endif
00270 if(s_start<=s_end) {
00271 for(i=s_start;i<s_end;i++) ps[j++]=sl[i];
00272 } else {
00273 for(i=s_start;i<s_size;i++) ps[j++]=sl[i];
00274 for(i=0;i<s_end;i++) ps[j++]=sl[i];
00275 }
00276 s_size*=2;
00277 s_start=0;s_end=j;
00278 delete [] sl;sl=ps;
00279 }
00280
00281
00282 template<class r_option>
00283 void container_base<r_option>::import(istream &is) {
00284 radius.import(is);
00285 }
00286
00287
00288
00289 template<class r_option>
00290 inline void container_base<r_option>::import() {
00291 import(cin);
00292 }
00293
00294
00295
00296
00297 template<class r_option>
00298 inline void container_base<r_option>::import(const char *filename) {
00299 ifstream is;
00300 is.open(filename,ifstream::in);
00301 import(is);
00302 is.close();
00303 }
00304
00305
00306 template<class r_option>
00307 void container_base<r_option>::region_count() {
00308 int i,j,k,ijk=0;
00309 for(k=0;k<nz;k++) {
00310 for(j=0;j<ny;j++) {
00311 for(i=0;i<nx;i++) cout << "Region (" << i << "," << j << "," << k << "): " << co[ijk++] << " particles" << endl;
00312 }
00313 }
00314 }
00315
00316
00317 template<class r_option>
00318 void container_base<r_option>::clear() {
00319 for(int ijk=0;ijk<nxyz;ijk++) co[ijk]=0;
00320 radius.clear_max();
00321 }
00322
00323
00324
00325
00326 template<class r_option>
00327 void container_base<r_option>::draw_cells_gnuplot(const char *filename,fpoint xmin,fpoint xmax,fpoint ymin,fpoint ymax,fpoint zmin,fpoint zmax) {
00328 fpoint x,y,z,px,py,pz;
00329 facets_loop l1(this);
00330 int q,s;
00331 voronoicell c;
00332 ofstream os;
00333 os.open(filename,ofstream::out|ofstream::trunc);
00334 s=l1.init(xmin,xmax,ymin,ymax,zmin,zmax,px,py,pz);
00335 do {
00336 for(q=0;q<co[s];q++) {
00337 x=p[s][sz*q]+px;y=p[s][sz*q+1]+py;z=p[s][sz*q+2]+pz;
00338 if(x>xmin&&x<xmax&&y>ymin&&y<ymax&&z>zmin&&z<zmax) {
00339 if (compute_cell(c,l1.ip,l1.jp,l1.kp,s,q,x,y,z)) c.draw_gnuplot(os,x,y,z);
00340 }
00341 }
00342 } while((s=l1.inc(px,py,pz))!=-1);
00343 os.close();
00344 }
00345
00346
00347
00348 template<class r_option>
00349 void container_base<r_option>::draw_cells_gnuplot(const char *filename) {
00350 draw_cells_gnuplot(filename,ax,bx,ay,by,az,bz);
00351 }
00352
00353
00354
00355
00356 template<class r_option>
00357 void container_base<r_option>::draw_cells_pov(const char *filename,fpoint xmin,fpoint xmax,fpoint ymin,fpoint ymax,fpoint zmin,fpoint zmax) {
00358 fpoint x,y,z,px,py,pz;
00359 facets_loop l1(this);
00360 int q,s;
00361 voronoicell c;
00362 ofstream os;
00363 os.open(filename,ofstream::out|ofstream::trunc);
00364 s=l1.init(xmin,xmax,ymin,ymax,zmin,zmax,px,py,pz);
00365 do {
00366 for(q=0;q<co[s];q++) {
00367 os << "// cell " << id[s][q] << "\n";
00368 x=p[s][sz*q]+px;y=p[s][sz*q+1]+py;z=p[s][sz*q+2]+pz;
00369 if(x>xmin&&x<xmax&&y>ymin&&y<ymax&&z>zmin&&z<zmax) {
00370 if (compute_cell(c,l1.ip,l1.jp,l1.kp,s,q,x,y,z)) c.draw_pov(os,x,y,z);
00371 }
00372 }
00373 } while((s=l1.inc(px,py,pz))!=-1);
00374 os.close();
00375 }
00376
00377
00378
00379 template<class r_option>
00380 void container_base<r_option>::draw_cells_pov(const char *filename) {
00381 draw_cells_pov(filename,ax,bx,ay,by,az,bz);
00382 }
00383
00384
00385
00386
00387
00388 template<class r_option>
00389 void container_base<r_option>::compute_all_cells() {
00390 voronoicell c;
00391 int i,j,k,ijk=0,q;
00392 for(k=0;k<nz;k++) for(j=0;j<ny;j++) for(i=0;i<nx;i++,ijk++) {
00393 for(q=0;q<co[ijk];q++) compute_cell(c,i,j,k,ijk,q);
00394 }
00395 }
00396
00397
00398
00399
00400 template<class r_option>
00401 void container_base<r_option>::store_cell_volumes(fpoint *bb) {
00402 voronoicell c;
00403 int i,j,k,ijk=0,q;
00404 for(k=0;k<nz;k++) for(j=0;j<ny;j++) for(i=0;i<nx;i++,ijk++) {
00405 for(q=0;q<co[ijk];q++) {
00406 if (compute_cell(c,i,j,k,ijk,q)) {
00407 bb[id[ijk][q]]=c.volume();
00408 } else {
00409 bb[id[ijk][q]]=0;
00410 }
00411 }
00412 }
00413 }
00414
00415
00416
00417
00418
00419
00420
00421
00422 template<class r_option>
00423 fpoint container_base<r_option>::packing_fraction(fpoint *bb,fpoint cx,fpoint cy,fpoint cz,fpoint r) {
00424 facets_loop l1(this);
00425 fpoint px,py,pz,x,y,z,rsq=r*r,pvol=0,vvol=0;
00426 int q,s;
00427 s=l1.init(cx,cy,cz,r,px,py,pz);
00428 do {
00429 for(q=0;q<co[s];q++) {
00430 x=p[s][sz*q]+px-cx;
00431 y=p[s][sz*q+1]+py-cy;
00432 z=p[s][sz*q+2]+pz-cz;
00433 if (x*x+y*y+z*z<rsq) {
00434 pvol+=radius.volume(s,q);
00435 vvol+=bb[id[s][q]];
00436 }
00437 }
00438 } while((s=l1.inc(px,py,pz))!=-1);
00439 return vvol>tolerance?pvol/vvol*4.1887902047863909846168578443726:0;
00440 }
00441
00442
00443
00444
00445
00446
00447
00448
00449 template<class r_option>
00450 fpoint container_base<r_option>::packing_fraction(fpoint *bb,fpoint xmin,fpoint xmax,fpoint ymin,fpoint ymax,fpoint zmin,fpoint zmax) {
00451 facets_loop l1(this);
00452 fpoint x,y,z,px,py,pz,pvol=0,vvol=0;
00453 int q,s;
00454 s=l1.init(xmin,xmax,ymin,ymax,zmin,zmax,px,py,pz);
00455 do {
00456 for(q=0;q<co[s];q++) {
00457 x=p[s][sz*q]+px;
00458 y=p[s][sz*q+1]+py;
00459 z=p[s][sz*q+2]+pz;
00460 if(x>xmin&&x<xmax&&y>ymin&&y<ymax&&z>zmin&&z<zmax) {
00461 pvol+=radius.volume(s,q);
00462 vvol+=bb[id[s][q]];
00463 }
00464 }
00465 } while((s=l1.inc(px,py,pz))!=-1);
00466 return vvol>tolerance?pvol/vvol*4.1887902047863909846168578443726:0;
00467 }
00468
00469
00470
00471 template<class r_option>
00472 fpoint container_base<r_option>::sum_cell_volumes() {
00473 voronoicell c;
00474 int i,j,k,ijk=0,q;fpoint vol=0;
00475 for(k=0;k<nz;k++) for(j=0;j<ny;j++) for(i=0;i<nx;i++,ijk++) {
00476 for(q=0;q<co[ijk];q++) if (compute_cell(c,i,j,k,ijk,q)) vol+=c.volume();
00477 }
00478 return vol;
00479 }
00480
00481
00482
00483 template<class r_option>
00484 template<class n_option>
00485 inline void container_base<r_option>::print_all(ostream &os,voronoicell_base<n_option> &c) {
00486 fpoint x,y,z;
00487 int i,j,k,ijk=0,q;
00488 for(k=0;k<nz;k++) for(j=0;j<ny;j++) for(i=0;i<nx;i++,ijk++) {
00489 for(q=0;q<co[ijk];q++) {
00490 x=p[ijk][sz*q];y=p[ijk][sz*q+1];z=p[ijk][sz*q+2];
00491 os << id[ijk][q] << " " << x << " " << y << " " << z;
00492 radius.print(os,ijk,q);
00493 if (compute_cell(c,i,j,k,ijk,q,x,y,z)) {
00494 os << " " << c.volume();
00495 c.neighbors(os);
00496 os << "\n";
00497 } else {
00498 os << " 0\n";
00499 }
00500 }
00501 }
00502 }
00503
00504
00505
00506 template<class r_option>
00507 void container_base<r_option>::print_all(ostream &os) {
00508 voronoicell c;
00509 print_all(os,c);
00510 }
00511
00512
00513 template<class r_option>
00514 void container_base<r_option>::print_all() {
00515 voronoicell c;
00516 print_all(cout);
00517 }
00518
00519
00520
00521
00522 template<class r_option>
00523 inline void container_base<r_option>::print_all(const char* filename) {
00524 voronoicell c;
00525 ofstream os;
00526 os.open(filename,ofstream::out|ofstream::trunc);
00527 print_all(os,c);
00528 os.close();
00529 }
00530
00531
00532
00533
00534 template<class r_option>
00535 void container_base<r_option>::print_all_neighbor(ostream &os) {
00536 voronoicell_neighbor c;
00537 print_all(os,c);
00538 }
00539
00540
00541
00542 template<class r_option>
00543 void container_base<r_option>::print_all_neighbor() {
00544 voronoicell_neighbor c;
00545 print_all(cout,c);
00546 }
00547
00548
00549
00550
00551 template<class r_option>
00552 inline void container_base<r_option>::print_all_neighbor(const char* filename) {
00553 voronoicell_neighbor c;
00554 ofstream os;
00555 os.open(filename,ofstream::out|ofstream::trunc);
00556 print_all(os,c);
00557 os.close();
00558 }
00559
00560
00561
00562
00563
00564
00565 template<class r_option>
00566 template<class n_option>
00567 inline bool container_base<r_option>::initialize_voronoicell(voronoicell_base<n_option> &c,fpoint x,fpoint y,fpoint z) {
00568 fpoint x1,x2,y1,y2,z1,z2;
00569 if(xperiodic) x1=-(x2=0.5*(bx-ax));else {x1=ax-x;x2=bx-x;}
00570 if(yperiodic) y1=-(y2=0.5*(by-ay));else {y1=ay-y;y2=by-y;}
00571 if(zperiodic) z1=-(z2=0.5*(bz-az));else {z1=az-z;z2=bz-z;}
00572 c.init(x1,x2,y1,y2,z1,z2);
00573 for(int j=0;j<wall_number;j++) {
00574 if (!(walls[j]->cut_cell(c,x,y,z))) return false;
00575 }
00576 return true;
00577 }
00578
00579
00580
00581
00582
00583
00584 template<class r_option>
00585 bool container_base<r_option>::point_inside(fpoint x,fpoint y,fpoint z) {
00586 if(x<ax||x>bx||y<ay||y>by||z<az||z>bz) return false;
00587 return point_inside_walls(x,y,z);
00588 }
00589
00590
00591
00592
00593
00594
00595
00596 template<class r_option>
00597 bool container_base<r_option>::point_inside_walls(fpoint x,fpoint y,fpoint z) {
00598 for(int j=0;j<wall_number;j++) if(!walls[j]->point_inside(x,y,z)) return false;
00599 return true;
00600 }
00601
00602
00603
00604
00605
00606
00607
00608
00609
00610
00611
00612
00613
00614
00615
00616 template<class r_option>
00617 template<class n_option>
00618 bool container_base<r_option>::compute_cell_sphere(voronoicell_base<n_option> &c,int i,int j,int k,int ijk,int s,fpoint x,fpoint y,fpoint z) {
00619
00620
00621
00622 const fpoint length_scale=1;
00623 fpoint x1,y1,z1,qx,qy,qz,lr=0,lrs=0,ur,urs,rs;
00624 int q,t;
00625 facets_loop l(this);
00626 if (!initialize_voronoicell(c,x,y,z)) return false;
00627
00628
00629
00630
00631 radius.init(ijk,s);
00632 while(radius.cutoff(lrs)<c.maxradsq()) {
00633 ur=lr+0.5*length_scale;urs=ur*ur;
00634 t=l.init(x,y,z,ur,qx,qy,qz);
00635 do {
00636 for(q=0;q<co[t];q++) {
00637 x1=p[t][sz*q]+qx-x;y1=p[t][sz*q+1]+qy-y;z1=p[t][sz*q+2]+qz-z;
00638 rs=x1*x1+y1*y1+z1*z1;
00639 if(lrs-tolerance<rs&&rs<urs&&(q!=s||ijk!=t)) {
00640 if (!c.nplane(x1,y1,z1,radius.scale(rs,t,q),id[t][q])) return false;
00641 }
00642 }
00643 } while((t=l.inc(qx,qy,qz))!=-1);
00644 lr=ur;lrs=urs;
00645 }
00646 return true;
00647 }
00648
00649
00650
00651
00652
00653
00654
00655
00656
00657 template<class r_option>
00658 template<class n_option>
00659 inline bool container_base<r_option>::compute_cell_sphere(voronoicell_base<n_option> &c,int i,int j,int k,int ijk,int s) {
00660 fpoint x=p[ijk][sz*s],y=p[ijk][sz*s+1],z=p[ijk][sz*s+2];
00661 return compute_cell_sphere(c,i,j,k,ijk,s,x,y,z);
00662 }
00663
00664
00665
00666
00667
00668
00669
00670
00671
00672
00673 template<class r_option>
00674 template<class n_option>
00675 inline bool container_base<r_option>::compute_cell(voronoicell_base<n_option> &c,int i,int j,int k,int ijk,int s) {
00676 fpoint x=p[ijk][sz*s],y=p[ijk][sz*s+1],z=p[ijk][sz*s+2];
00677 return compute_cell(c,i,j,k,ijk,s,x,y,z);
00678 }
00679
00680
00681
00682
00683
00684
00685
00686
00687
00688
00689
00690
00691
00692
00693
00694
00695
00696
00697
00698
00699
00700
00701
00702
00703
00704 template<class r_option>
00705 template<class n_option>
00706 bool container_base<r_option>::compute_cell(voronoicell_base<n_option> &c,int i,int j,int k,int ijk,int s,fpoint x,fpoint y,fpoint z) {
00707 const fpoint boxx=(bx-ax)/nx,boxy=(by-ay)/ny,boxz=(bz-az)/nz;
00708 fpoint x1,y1,z1,qx=0,qy=0,qz=0;
00709 fpoint xlo,ylo,zlo,xhi,yhi,zhi,rs;
00710 int ci,cj,ck,di,dj,dk,dijk,ei,ej,ek,eijk,si,sj,sk,sijk;
00711 fpoint gxs,gys,gzs,*radp;
00712 int f,g,l;unsigned int q,*e;
00713 const unsigned int b1=1<<21,b2=1<<22,b3=1<<24,b4=1<<25,b5=1<<27,b6=1<<28;
00714
00715 radius.init(ijk,s);
00716
00717
00718 if (!initialize_voronoicell(c,x,y,z)) return false;
00719 fpoint crs,mrs;
00720
00721 int next_count=3,list_index=0,list_size=8;
00722 int count_list[]={7,11,15,19,26,35,45,59};
00723
00724
00725 for(l=0;l<s;l++) {
00726 x1=p[ijk][sz*l]-x;
00727 y1=p[ijk][sz*l+1]-y;
00728 z1=p[ijk][sz*l+2]-z;
00729 rs=radius.scale(x1*x1+y1*y1+z1*z1,ijk,l);
00730 if (!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
00731 }
00732 l++;
00733 while(l<co[ijk]) {
00734 x1=p[ijk][sz*l]-x;
00735 y1=p[ijk][sz*l+1]-y;
00736 z1=p[ijk][sz*l+2]-z;
00737 rs=radius.scale(x1*x1+y1*y1+z1*z1,ijk,l);
00738 if (!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
00739 l++;
00740 }
00741
00742
00743
00744
00745 mrs=c.maxradsq();
00746
00747
00748
00749
00750
00751 unsigned int m1,m2;
00752 fpoint fx=x-ax-boxx*i,fy=y-ay-boxy*j,fz=z-az-boxz*k;
00753 si=int(fx*xsp*fgrid);sj=int(fy*ysp*fgrid);sk=int(fz*zsp*fgrid);
00754
00755
00756
00757
00758
00759
00760
00761
00762 if(si>=hgrid) {
00763 gxs=fx;
00764 m1=127+(3<<21);si=fgrid-1-si;m2=1+(1<<21);
00765 } else {m1=m2=0;gxs=boxx-fx;}
00766 if(sj>=hgrid) {
00767 gys=fy;
00768 m1|=(127<<7)+(3<<24);sj=fgrid-1-sj;m2|=(1<<7)+(1<<24);
00769 } else gys=boxy-fy;
00770 if(sk>=hgrid) {
00771 gzs=fz;
00772 m1|=(127<<14)+(3<<27);sk=fgrid-1-sk;m2|=(1<<14)+(1<<27);
00773 } else gzs=boxz-fz;
00774 gxs*=gxs;gys*=gys;gzs*=gzs;
00775
00776
00777
00778
00779 if(si<0) si=0;if(sj<0) sj=0;if(sk<0) sk=0;
00780
00781
00782
00783 sijk=si+hgrid*(sj+hgrid*sk);
00784 radp=mrad+sijk*seq_length;
00785 e=(const_cast<unsigned int*> (wl))+sijk*seq_length;
00786
00787
00788
00789 f=e[0];g=0;
00790 do {
00791
00792
00793
00794 if(g==next_count) {
00795 mrs=c.maxradsq();
00796 if(list_index!=list_size) next_count=count_list[list_index++];
00797 }
00798
00799
00800
00801 if(mrs<radius.cutoff(radp[g])) return true;
00802 g++;
00803
00804
00805
00806
00807 q=e[g];q^=m1;q+=m2;
00808 di=q&127;di-=64;
00809 dj=(q>>7)&127;dj-=64;
00810 dk=(q>>14)&127;dk-=64;
00811
00812
00813 if(xperiodic) {if(di<-nx) continue;else if(di>nx) continue;}
00814 else {if(di<-i) continue;else if(di>=nx-i) continue;}
00815 if(yperiodic) {if(dj<-ny) continue;else if(dj>ny) continue;}
00816 else {if(dj<-j) continue;else if(dj>=ny-j) continue;}
00817 if(zperiodic) {if(dk<-nz) continue;else if(dk>nz) continue;}
00818 else {if(dk<-k) continue;else if(dk>=nz-k) continue;}
00819
00820
00821
00822
00823
00824
00825 if(compute_min_max_radius(di,dj,dk,fx,fy,fz,gxs,gys,gzs,crs,mrs)) continue;
00826
00827
00828
00829 di+=i;dj+=j;dk+=k;
00830 if(xperiodic) {if(di<0) {qx=ax-bx;di+=nx;} else if(di>=nx) {qx=bx-ax;di-=nx;} else qx=0;}
00831 if(yperiodic) {if(dj<0) {qy=ay-by;dj+=ny;} else if(dj>=ny) {qy=by-ay;dj-=ny;} else qy=0;}
00832 if(zperiodic) {if(dk<0) {qz=az-bz;dk+=nz;} else if(dk>=nz) {qz=bz-az;dk-=nz;} else qz=0;}
00833 dijk=di+nx*(dj+ny*dk);
00834
00835
00836
00837
00838
00839 if(mrs>radius.cutoff(crs)) {
00840 for(l=0;l<co[dijk];l++) {
00841 x1=p[dijk][sz*l]+qx-x;
00842 y1=p[dijk][sz*l+1]+qy-y;
00843 z1=p[dijk][sz*l+2]+qz-z;
00844 rs=radius.scale(x1*x1+y1*y1+z1*z1,dijk,l);
00845 if (!c.nplane(x1,y1,z1,rs,id[dijk][l])) return false;
00846 }
00847 } else {
00848 for(l=0;l<co[dijk];l++) {
00849 x1=p[dijk][sz*l]+qx-x;
00850 y1=p[dijk][sz*l+1]+qy-y;
00851 z1=p[dijk][sz*l+2]+qz-z;
00852 rs=radius.scale(x1*x1+y1*y1+z1*z1,dijk,l);
00853 if(rs<mrs) {
00854 if (!c.nplane(x1,y1,z1,rs,id[dijk][l])) return false;
00855 }
00856 }
00857 }
00858 } while(g<f);
00859
00860
00861
00862
00863
00864
00865
00866
00867
00868 ci=xperiodic?nx:i;
00869 cj=yperiodic?ny:j;
00870 ck=zperiodic?nz:k;
00871
00872
00873
00874 mv++;
00875 if(mv==0) {
00876 for(l=0;l<hxyz;l++) mask[l]=0;
00877 mv=1;
00878 }
00879
00880
00881 s_start=s_end=0;
00882
00883 while(g<seq_length-1) {
00884
00885
00886
00887 if(g==next_count) {
00888 mrs=c.maxradsq();
00889 if(list_index!=list_size) next_count=count_list[list_index++];
00890 }
00891
00892
00893
00894 if(mrs<radius.cutoff(radp[g])) return true;
00895 g++;
00896
00897
00898
00899
00900 q=e[g];q^=m1;q+=m2;
00901 di=q&127;di-=64;
00902 dj=(q>>7)&127;dj-=64;
00903 dk=(q>>14)&127;dk-=64;
00904
00905
00906
00907
00908 ei=ci+di;
00909 ej=cj+dj;
00910 ek=ck+dk;
00911 if(ei<0) continue;else if(ei>=hx) continue;
00912 if(ej<0) continue;else if(ej>=hy) continue;
00913 if(ek<0) continue;else if(ek>=hz) continue;
00914 eijk=ei+hx*(ej+hy*ek);
00915 mask[eijk]=mv;
00916
00917
00918
00919
00920
00921
00922 if(compute_min_max_radius(di,dj,dk,fx,fy,fz,gxs,gys,gzs,crs,mrs)) continue;
00923
00924
00925
00926 di+=i;dj+=j;dk+=k;
00927 if(xperiodic) {if(di<0) {qx=ax-bx;di+=nx;} else if(di>=nx) {qx=bx-ax;di-=nx;} else qx=0;}
00928 if(yperiodic) {if(dj<0) {qy=ay-by;dj+=ny;} else if(dj>=ny) {qy=by-ay;dj-=ny;} else qy=0;}
00929 if(zperiodic) {if(dk<0) {qz=az-bz;dk+=nz;} else if(dk>=nz) {qz=bz-az;dk-=nz;} else qz=0;}
00930 dijk=di+nx*(dj+ny*dk);
00931
00932
00933
00934
00935
00936 if(mrs>radius.cutoff(crs)) {
00937 for(l=0;l<co[dijk];l++) {
00938 x1=p[dijk][sz*l]+qx-x;
00939 y1=p[dijk][sz*l+1]+qy-y;
00940 z1=p[dijk][sz*l+2]+qz-z;
00941 rs=radius.scale(x1*x1+y1*y1+z1*z1,dijk,l);
00942 if (!c.nplane(x1,y1,z1,rs,id[dijk][l])) return false;
00943 }
00944 } else {
00945 for(l=0;l<co[dijk];l++) {
00946 x1=p[dijk][sz*l]+qx-x;
00947 y1=p[dijk][sz*l+1]+qy-y;
00948 z1=p[dijk][sz*l+2]+qz-z;
00949 rs=radius.scale(x1*x1+y1*y1+z1*z1,dijk,l);
00950 if(rs<mrs) {
00951 if(!c.nplane(x1,y1,z1,rs,id[dijk][l])) return false;
00952 }
00953 }
00954 }
00955
00956
00957
00958 if(s_end+18>s_size) add_list_memory();
00959
00960
00961
00962
00963 if((q&b2)==b2) {
00964 if(ei>0) if(mask[eijk-1]!=mv) {mask[eijk-1]=mv;sl[s_end++]=ei-1;sl[s_end++]=ej;sl[s_end++]=ek;}
00965 if((q&b1)==0) if(ei<hx-1) if(mask[eijk+1]!=mv) {mask[eijk+1]=mv;sl[s_end++]=ei+1;sl[s_end++]=ej;sl[s_end++]=ek;}
00966 } else if((q&b1)==b1) {if(ei<hx-1) if(mask[eijk+1]!=mv) {mask[eijk+1]=mv;sl[s_end++]=ei+1;sl[s_end++]=ej;sl[s_end++]=ek;}}
00967 if((q&b4)==b4) {if(ej>0) if(mask[eijk-hx]!=mv) {mask[eijk-hx]=mv;sl[s_end++]=ei;sl[s_end++]=ej-1;sl[s_end++]=ek;}
00968 if((q&b3)==0) if(ej<hy-1) if(mask[eijk+hx]!=mv) {mask[eijk+hx]=mv;sl[s_end++]=ei;sl[s_end++]=ej+1;sl[s_end++]=ek;}
00969 } else if((q&b3)==b3) {if(ej<hy-1) if(mask[eijk+hx]!=mv) {mask[eijk+hx]=mv;sl[s_end++]=ei;sl[s_end++]=ej+1;sl[s_end++]=ek;}}
00970 if((q&b6)==b6) {if(ek>0) if(mask[eijk-hxy]!=mv) {mask[eijk-hxy]=mv;sl[s_end++]=ei;sl[s_end++]=ej;sl[s_end++]=ek-1;}
00971 if((q&b5)==0) if(ek<hz-1) if(mask[eijk+hxy]!=mv) {mask[eijk+hxy]=mv;sl[s_end++]=ei;sl[s_end++]=ej;sl[s_end++]=ek+1;}
00972 } else if((q&b5)==b5) if(ek<hz-1) if(mask[eijk+hxy]!=mv) {mask[eijk+hxy]=mv;sl[s_end++]=ei;sl[s_end++]=ej;sl[s_end++]=ek+1;}
00973 }
00974
00975
00976 if(mrs<radius.cutoff(radp[g])) return true;
00977
00978
00979
00980 fx+=boxx*ci;fy+=boxy*cj;fz+=boxz*ck;
00981
00982
00983
00984
00985 while(s_start!=s_end) {
00986
00987
00988 if(s_start==s_size) s_start=0;
00989
00990
00991
00992 di=sl[s_start++];dj=sl[s_start++];dk=sl[s_start++];
00993 xlo=di*boxx-fx;xhi=xlo+boxx;
00994 ylo=dj*boxy-fy;yhi=ylo+boxy;
00995 zlo=dk*boxz-fz;zhi=zlo+boxz;
00996
00997
00998
00999 if(di>ci) {
01000 if(dj>cj) {
01001 if(dk>ck) {
01002 if(corner_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;
01003 } else if(dk<ck) {
01004 if(corner_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;
01005 } else {
01006 if(edge_z_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;
01007 }
01008 } else if(dj<cj) {
01009 if(dk>ck) {
01010 if(corner_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;
01011 } else if(dk<ck) {
01012 if(corner_test(c,xlo,yhi,zhi,xhi,ylo,zlo)) continue;
01013 } else {
01014 if(edge_z_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;
01015 }
01016 } else {
01017 if(dk>ck) {
01018 if(edge_y_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;
01019 } else if(dk<ck) {
01020 if(edge_y_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;
01021 } else {
01022 if(face_x_test(c,xlo,ylo,zlo,yhi,zhi)) continue;
01023 }
01024 }
01025 } else if(di<ci) {
01026 if(dj>cj) {
01027 if(dk>ck) {
01028 if(corner_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;
01029 } else if(dk<ck) {
01030 if(corner_test(c,xhi,ylo,zhi,xlo,yhi,zlo)) continue;
01031 } else {
01032 if(edge_z_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;
01033 }
01034 } else if(dj<cj) {
01035 if(dk>ck) {
01036 if(corner_test(c,xhi,yhi,zlo,xlo,ylo,zhi)) continue;
01037 } else if(dk<ck) {
01038 if(corner_test(c,xhi,yhi,zhi,xlo,ylo,zlo)) continue;
01039 } else {
01040 if(edge_z_test(c,xhi,yhi,zlo,xlo,ylo,zhi)) continue;
01041 }
01042 } else {
01043 if(dk>ck) {
01044 if(edge_y_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;
01045 } else if(dk<ck) {
01046 if(edge_y_test(c,xhi,ylo,zhi,xlo,yhi,zlo)) continue;
01047 } else {
01048 if(face_x_test(c,xhi,ylo,zlo,yhi,zhi)) continue;
01049 }
01050 }
01051 } else {
01052 if(dj>cj) {
01053 if(dk>ck) {
01054 if(edge_x_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;
01055 } else if(dk<ck) {
01056 if(edge_x_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;
01057 } else {
01058 if(face_y_test(c,xlo,ylo,zlo,xhi,zhi)) continue;
01059 }
01060 } else if(dj<cj) {
01061 if(dk>ck) {
01062 if(edge_x_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;
01063 } else if(dk<ck) {
01064 if(edge_x_test(c,xlo,yhi,zhi,xhi,ylo,zlo)) continue;
01065 } else {
01066 if(face_y_test(c,xlo,yhi,zlo,xhi,zhi)) continue;
01067 }
01068 } else {
01069 if(dk>ck) {
01070 if(face_z_test(c,xlo,ylo,zlo,xhi,yhi)) continue;
01071 } else if(dk<ck) {
01072 if(face_z_test(c,xlo,ylo,zhi,xhi,yhi)) continue;
01073 } else {
01074 cout << "Can't happen ... happened\n";
01075 }
01076 }
01077 }
01078
01079
01080
01081 if(xperiodic) {ei=i+di-nx;if(ei<0) {qx=ax-bx;ei+=nx;} else if(ei>=nx) {qx=bx-ax;ei-=nx;} else qx=0;} else ei=di;
01082 if(yperiodic) {ej=j+dj-ny;if(ej<0) {qy=ay-by;ej+=ny;} else if(ej>=ny) {qy=by-ay;ej-=ny;} else qy=0;} else ej=dj;
01083 if(zperiodic) {ek=k+dk-nz;if(ek<0) {qz=az-bz;ek+=nz;} else if(ek>=nz) {qz=bz-az;ek-=nz;} else qz=0;} else ek=dk;
01084 eijk=ei+nx*(ej+ny*ek);
01085
01086
01087
01088
01089 for(l=0;l<co[eijk];l++) {
01090 x1=p[eijk][sz*l]+qx-x;
01091 y1=p[eijk][sz*l+1]+qy-y;
01092 z1=p[eijk][sz*l+2]+qz-z;
01093 rs=radius.scale(x1*x1+y1*y1+z1*z1,eijk,l);
01094 if (!c.nplane(x1,y1,z1,rs,id[eijk][l])) return false;
01095 }
01096
01097
01098 if((s_start<=s_end?s_size-s_end+s_start:s_end-s_start)<18) add_list_memory();
01099
01100
01101
01102 dijk=di+hx*(dj+hy*dk);
01103 if(di>0) if(mask[dijk-1]!=mv) {if(s_end==s_size) s_end=0;mask[dijk-1]=mv;sl[s_end++]=di-1;sl[s_end++]=dj;sl[s_end++]=dk;}
01104 if(dj>0) if(mask[dijk-hx]!=mv) {if(s_end==s_size) s_end=0;mask[dijk-hx]=mv;sl[s_end++]=di;sl[s_end++]=dj-1;sl[s_end++]=dk;}
01105 if(dk>0) if(mask[dijk-hxy]!=mv) {if(s_end==s_size) s_end=0;mask[dijk-hxy]=mv;sl[s_end++]=di;sl[s_end++]=dj;sl[s_end++]=dk-1;}
01106 if(di<hx-1) if(mask[dijk+1]!=mv) {if(s_end==s_size) s_end=0;mask[dijk+1]=mv;sl[s_end++]=di+1;sl[s_end++]=dj;sl[s_end++]=dk;}
01107 if(dj<hy-1) if(mask[dijk+hx]!=mv) {if(s_end==s_size) s_end=0;mask[dijk+hx]=mv;sl[s_end++]=di;sl[s_end++]=dj+1;sl[s_end++]=dk;}
01108 if(dk<hz-1) if(mask[dijk+hxy]!=mv) {if(s_end==s_size) s_end=0;mask[dijk+hxy]=mv;sl[s_end++]=di;sl[s_end++]=dj;sl[s_end++]=dk+1;}
01109 }
01110
01111 return true;
01112 }
01113
01114
01115
01116
01117
01118
01119
01120
01121
01122
01123 template<class r_option>
01124 template<class n_option>
01125 inline bool container_base<r_option>::corner_test(voronoicell_base<n_option> &c,fpoint xl,fpoint yl,fpoint zl,fpoint xh,fpoint yh,fpoint zh) {
01126 if(c.plane_intersects_guess(xh,yl,zl,radius.cutoff(xl*xh+yl*yl+zl*zl))) return false;
01127 if(c.plane_intersects(xh,yh,zl,radius.cutoff(xl*xh+yl*yh+zl*zl))) return false;
01128 if(c.plane_intersects(xl,yh,zl,radius.cutoff(xl*xl+yl*yh+zl*zl))) return false;
01129 if(c.plane_intersects(xl,yh,zh,radius.cutoff(xl*xl+yl*yh+zl*zh))) return false;
01130 if(c.plane_intersects(xl,yl,zh,radius.cutoff(xl*xl+yl*yl+zl*zh))) return false;
01131 if(c.plane_intersects(xh,yl,zh,radius.cutoff(xl*xh+yl*yl+zl*zh))) return false;
01132 return true;
01133 }
01134
01135
01136
01137
01138
01139
01140
01141
01142
01143
01144
01145
01146 template<class r_option>
01147 template<class n_option>
01148 inline bool container_base<r_option>::edge_x_test(voronoicell_base<n_option> &c,fpoint x0,fpoint yl,fpoint zl,fpoint x1,fpoint yh,fpoint zh) {
01149 if(c.plane_intersects_guess(x0,yl,zh,radius.cutoff(yl*yl+zl*zh))) return false;
01150 if(c.plane_intersects(x1,yl,zh,radius.cutoff(yl*yl+zl*zh))) return false;
01151 if(c.plane_intersects(x1,yl,zl,radius.cutoff(yl*yl+zl*zl))) return false;
01152 if(c.plane_intersects(x0,yl,zl,radius.cutoff(yl*yl+zl*zl))) return false;
01153 if(c.plane_intersects(x0,yh,zl,radius.cutoff(yl*yh+zl*zl))) return false;
01154 if(c.plane_intersects(x1,yh,zl,radius.cutoff(yl*yh+zl*zl))) return false;
01155 return true;
01156 }
01157
01158
01159
01160
01161
01162
01163
01164
01165
01166
01167
01168
01169 template<class r_option>
01170 template<class n_option>
01171 inline bool container_base<r_option>::edge_y_test(voronoicell_base<n_option> &c,fpoint xl,fpoint y0,fpoint zl,fpoint xh,fpoint y1,fpoint zh) {
01172 if(c.plane_intersects_guess(xl,y0,zh,radius.cutoff(xl*xl+zl*zh))) return false;
01173 if(c.plane_intersects(xl,y1,zh,radius.cutoff(xl*xl+zl*zh))) return false;
01174 if(c.plane_intersects(xl,y1,zl,radius.cutoff(xl*xl+zl*zl))) return false;
01175 if(c.plane_intersects(xl,y0,zl,radius.cutoff(xl*xl+zl*zl))) return false;
01176 if(c.plane_intersects(xh,y0,zl,radius.cutoff(xl*xh+zl*zl))) return false;
01177 if(c.plane_intersects(xh,y1,zl,radius.cutoff(xl*xh+zl*zl))) return false;
01178 return true;
01179 }
01180
01181
01182
01183
01184
01185
01186
01187
01188
01189
01190
01191
01192 template<class r_option>
01193 template<class n_option>
01194 inline bool container_base<r_option>::edge_z_test(voronoicell_base<n_option> &c,fpoint xl,fpoint yl,fpoint z0,fpoint xh,fpoint yh,fpoint z1) {
01195 if(c.plane_intersects_guess(xl,yh,z0,radius.cutoff(xl*xl+yl*yh))) return false;
01196 if(c.plane_intersects(xl,yh,z1,radius.cutoff(xl*xl+yl*yh))) return false;
01197 if(c.plane_intersects(xl,yl,z1,radius.cutoff(xl*xl+yl*yl))) return false;
01198 if(c.plane_intersects(xl,yl,z0,radius.cutoff(xl*xl+yl*yl))) return false;
01199 if(c.plane_intersects(xh,yl,z0,radius.cutoff(xl*xh+yl*yl))) return false;
01200 if(c.plane_intersects(xh,yl,z1,radius.cutoff(xl*xh+yl*yl))) return false;
01201 return true;
01202 }
01203
01204
01205
01206
01207
01208
01209
01210
01211
01212 template<class r_option>
01213 template<class n_option>
01214 inline bool container_base<r_option>::face_x_test(voronoicell_base<n_option> &c,fpoint xl,fpoint y0,fpoint z0,fpoint y1,fpoint z1) {
01215 if(c.plane_intersects_guess(xl,y0,z0,radius.cutoff(xl*xl))) return false;
01216 if(c.plane_intersects(xl,y0,z1,radius.cutoff(xl*xl))) return false;
01217 if(c.plane_intersects(xl,y1,z1,radius.cutoff(xl*xl))) return false;
01218 if(c.plane_intersects(xl,y1,z0,radius.cutoff(xl*xl))) return false;
01219 return true;
01220 }
01221
01222
01223
01224
01225
01226
01227
01228
01229
01230 template<class r_option>
01231 template<class n_option>
01232 inline bool container_base<r_option>::face_y_test(voronoicell_base<n_option> &c,fpoint x0,fpoint yl,fpoint z0,fpoint x1,fpoint z1) {
01233 if(c.plane_intersects_guess(x0,yl,z0,radius.cutoff(yl*yl))) return false;
01234 if(c.plane_intersects(x0,yl,z1,radius.cutoff(yl*yl))) return false;
01235 if(c.plane_intersects(x1,yl,z1,radius.cutoff(yl*yl))) return false;
01236 if(c.plane_intersects(x1,yl,z0,radius.cutoff(yl*yl))) return false;
01237 return true;
01238 }
01239
01240
01241
01242
01243
01244
01245
01246
01247
01248 template<class r_option>
01249 template<class n_option>
01250 inline bool container_base<r_option>::face_z_test(voronoicell_base<n_option> &c,fpoint x0,fpoint y0,fpoint zl,fpoint x1,fpoint y1) {
01251 if(c.plane_intersects_guess(x0,y0,zl,radius.cutoff(zl*zl))) return false;
01252 if(c.plane_intersects(x0,y1,zl,radius.cutoff(zl*zl))) return false;
01253 if(c.plane_intersects(x1,y1,zl,radius.cutoff(zl*zl))) return false;
01254 if(c.plane_intersects(x1,y0,zl,radius.cutoff(zl*zl))) return false;
01255 return true;
01256 }
01257
01258
01259
01260 template<class r_option>
01261 facets_loop::facets_loop(container_base<r_option> *q) : sx(q->bx-q->ax), sy(q->by-q->ay), sz(q->bz-q->az),
01262 xsp(q->xsp),ysp(q->ysp),zsp(q->zsp),
01263 ax(q->ax),ay(q->ay),az(q->az),
01264 nx(q->nx),ny(q->ny),nz(q->nz),nxy(q->nxy),nxyz(q->nxyz),
01265 xperiodic(q->xperiodic),yperiodic(q->yperiodic),zperiodic(q->zperiodic) {}
01266
01267
01268
01269
01270 inline int facets_loop::init(fpoint vx,fpoint vy,fpoint vz,fpoint r,fpoint &px,fpoint &py,fpoint &pz) {
01271 ai=step_int((vx-ax-r)*xsp);
01272 bi=step_int((vx-ax+r)*xsp);
01273 if(!xperiodic) {
01274 if(ai<0) {ai=0;if(bi<0) bi=0;}
01275 if(bi>=nx) {bi=nx-1;if(ai>=nx) ai=nx-1;}
01276 }
01277 aj=step_int((vy-ay-r)*ysp);
01278 bj=step_int((vy-ay+r)*ysp);
01279 if(!yperiodic) {
01280 if(aj<0) {aj=0;if(bj<0) bj=0;}
01281 if(bj>=ny) {bj=ny-1;if(aj>=ny) aj=ny-1;}
01282 }
01283 ak=step_int((vz-az-r)*zsp);
01284 bk=step_int((vz-az+r)*zsp);
01285 if(!zperiodic) {
01286 if(ak<0) {ak=0;if(bk<0) bk=0;}
01287 if(bk>=nz) {bk=nz-1;if(ak>=nz) ak=nz-1;}
01288 }
01289 i=ai;j=aj;k=ak;
01290 aip=ip=step_mod(i,nx);apx=px=step_div(i,nx)*sx;
01291 ajp=jp=step_mod(j,ny);apy=py=step_div(j,ny)*sy;
01292 akp=kp=step_mod(k,nz);apz=pz=step_div(k,nz)*sz;
01293 inc1=aip-step_mod(bi,nx);
01294 inc2=nx*(ny+ajp-step_mod(bj,ny))+inc1;
01295 inc1+=nx;
01296 s=aip+nx*(ajp+ny*akp);
01297 return s;
01298 }
01299
01300
01301
01302
01303
01304 inline int facets_loop::init(fpoint xmin,fpoint xmax,fpoint ymin,fpoint ymax,fpoint zmin,fpoint zmax,fpoint &px,fpoint &py,fpoint &pz) {
01305 ai=step_int((xmin-ax)*xsp);
01306 bi=step_int((xmax-ax)*xsp);
01307 if(!xperiodic) {
01308 if(ai<0) {ai=0;if(bi<0) bi=0;}
01309 if(bi>=nx) {bi=nx-1;if(ai>=nx) ai=nx-1;}
01310 }
01311 aj=step_int((ymin-ay)*ysp);
01312 bj=step_int((ymax-ay)*ysp);
01313 if(!yperiodic) {
01314 if(aj<0) {aj=0;if(bj<0) bj=0;}
01315 if(bj>=ny) {bj=ny-1;if(aj>=ny) aj=ny-1;}
01316 }
01317 ak=step_int((zmin-az)*zsp);
01318 bk=step_int((zmax-az)*zsp);
01319 if(!zperiodic) {
01320 if(ak<0) {ak=0;if(bk<0) bk=0;}
01321 if(bk>=nz) {bk=nz-1;if(ak>=nz) ak=nz-1;}
01322 }
01323 i=ai;j=aj;k=ak;
01324 aip=ip=step_mod(i,nx);apx=px=step_div(i,nx)*sx;
01325 ajp=jp=step_mod(j,ny);apy=py=step_div(j,ny)*sy;
01326 akp=kp=step_mod(k,nz);apz=pz=step_div(k,nz)*sz;
01327 inc1=aip-step_mod(bi,nx);
01328 inc2=nx*(ny+ajp-step_mod(bj,ny))+inc1;
01329 inc1+=nx;
01330 s=aip+nx*(ajp+ny*akp);
01331 return s;
01332 }
01333
01334
01335
01336 inline int facets_loop::inc(fpoint &px,fpoint &py,fpoint &pz) {
01337 if(i<bi) {
01338 i++;
01339 if(ip<nx-1) {ip++;s++;} else {ip=0;s+=1-nx;px+=sx;}
01340 return s;
01341 } else if(j<bj) {
01342 i=ai;ip=aip;px=apx;j++;
01343 if(jp<ny-1) {jp++;s+=inc1;} else {jp=0;s+=inc1-nxy;py+=sy;}
01344 return s;
01345 } else if(k<bk) {
01346 i=ai;ip=aip;j=aj;jp=ajp;px=apx;py=apy;k++;
01347 if(kp<nz-1) {kp++;s+=inc2;} else {kp=0;s+=inc2-nxyz;pz+=sz;}
01348 return s;
01349 } else return -1;
01350 }
01351
01352
01353
01354
01355 inline int facets_loop::step_int(fpoint a) {
01356 return a<0?int(a)-1:int(a);
01357 }
01358
01359
01360 inline int facets_loop::step_mod(int a,int b) {
01361 return a>=0?a%b:b-1-(b-1-a)%b;
01362 }
01363
01364
01365 inline int facets_loop::step_div(int a,int b) {
01366 return a>=0?a/b:-1+(a+1)/b;
01367 }
01368
01369
01370
01371 template<class r_option>
01372 void container_base<r_option>::add_wall(wall& w) {
01373 if(wall_number==current_wall_size) {
01374 current_wall_size*=2;
01375 if(current_wall_size>max_wall_size) throw fatal_error("Wall memory allocation exceeded absolute maximum");
01376 wall **pwall;
01377 pwall=new wall*[current_wall_size];
01378 for(int i=0;i<wall_number;i++) pwall[i]=walls[i];
01379 delete [] walls;walls=pwall;
01380 }
01381 walls[wall_number++]=&w;
01382 }
01383
01384
01385
01386
01387
01388 inline void radius_poly::store_radius(int i,int j,fpoint r) {
01389 cc->p[i][4*j+3]=r;
01390 if(r>max_radius) max_radius=r;
01391 }
01392
01393
01394 inline void radius_poly::clear_max() {
01395 max_radius=0;
01396 }
01397
01398
01399
01400
01401 inline void radius_mono::import(istream &is) {
01402 int n;fpoint x,y,z;
01403 is >> n >> x >> y >> z;
01404 while(!is.eof()) {
01405 cc->put(n,x,y,z);
01406 is >> n >> x >> y >> z;
01407 }
01408 }
01409
01410
01411
01412
01413 inline void radius_poly::import(istream &is) {
01414 int n;fpoint x,y,z,r;
01415 is >> n >> x >> y >> z >> r;
01416 while(!is.eof()) {
01417 cc->put(n,x,y,z,r);
01418 is >> n >> x >> y >> z >> r;
01419 }
01420 }
01421
01422
01423
01424
01425
01426
01427 inline void radius_poly::init(int ijk,int s) {
01428 crad=cc->p[ijk][4*s+3];
01429 mul=1+(crad*crad-max_radius*max_radius)/((max_radius+crad)*(max_radius+crad));
01430 crad*=crad;
01431 }
01432
01433
01434
01435
01436
01437
01438
01439 inline fpoint radius_poly::cutoff(fpoint lrs) {
01440 return mul*lrs;
01441 }
01442
01443
01444
01445
01446
01447
01448 inline fpoint radius_mono::cutoff(fpoint lrs) {
01449 return lrs;
01450 }
01451
01452
01453
01454
01455
01456 inline void radius_mono::rad(ostream &os,int l,int c) {
01457 os << "s";
01458 }
01459
01460
01461
01462
01463
01464 inline void radius_poly::rad(ostream &os,int l,int c) {
01465 os << cc->p[l][4*c+3];
01466 }
01467
01468
01469
01470
01471
01472
01473
01474
01475 inline fpoint radius_mono::volume(int ijk,int s) {
01476 return 0.125;
01477 }
01478
01479
01480
01481
01482
01483 inline fpoint radius_poly::volume(int ijk,int s) {
01484 fpoint a=cc->p[ijk][4*s+3];
01485 return a*a*a;
01486 }
01487
01488
01489
01490
01491
01492
01493
01494 inline fpoint radius_poly::scale(fpoint rs,int t,int q) {
01495 return rs+crad-cc->p[t][4*q+3]*cc->p[t][4*q+3];
01496 }
01497
01498
01499
01500
01501
01502
01503 inline fpoint radius_mono::scale(fpoint rs,int t,int q) {
01504 return rs;
01505 }
01506
01507
01508
01509
01510
01511 inline void radius_poly::print(ostream &os,int ijk,int q) {
01512 os << " " << cc->p[ijk][4*q+3];
01513 }
01514
01515
01516
01517
01518
01519
01520
01521
01522
01523
01524
01525
01526
01527
01528 template<class r_option>
01529 inline bool container_base<r_option>::compute_min_max_radius(int di,int dj,int dk,fpoint fx,fpoint fy,fpoint fz,fpoint gxs,fpoint gys,fpoint gzs,fpoint &crs,fpoint mrs) {
01530 fpoint xlo,ylo,zlo;
01531 const fpoint boxx=(bx-ax)/nx,boxy=(by-ay)/ny,boxz=(bz-az)/nz;
01532 const fpoint bxsq=boxx*boxx+boxy*boxy+boxz*boxz;
01533 if(di>0) {
01534 xlo=di*boxx-fx;
01535 crs=xlo*xlo;
01536 if(dj>0) {
01537 ylo=dj*boxy-fy;
01538 crs+=ylo*ylo;
01539 if(dk>0) {
01540 zlo=dk*boxz-fz;
01541 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01542 crs+=bxsq+2*(boxx*xlo+boxy*ylo+boxz*zlo);
01543 } else if(dk<0) {
01544 zlo=(dk+1)*boxz-fz;
01545 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01546 crs+=bxsq+2*(boxx*xlo+boxy*ylo-boxz*zlo);
01547 } else {
01548 if(radius.cutoff(crs)>mrs) return true;
01549 crs+=boxx*(2*xlo+boxx)+boxy*(2*ylo+boxy)+gzs;
01550 }
01551 } else if(dj<0) {
01552 ylo=(dj+1)*boxy-fy;
01553 crs+=ylo*ylo;
01554 if(dk>0) {
01555 zlo=dk*boxz-fz;
01556 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01557 crs+=bxsq+2*(boxx*xlo-boxy*ylo+boxz*zlo);
01558 } else if(dk<0) {
01559 zlo=(dk+1)*boxz-fz;
01560 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01561 crs+=bxsq+2*(boxx*xlo-boxy*ylo-boxz*zlo);
01562 } else {
01563 if(radius.cutoff(crs)>mrs) return true;
01564 crs+=boxx*(2*xlo+boxx)+boxy*(-2*ylo+boxy)+gzs;
01565 }
01566 } else {
01567 if(dk>0) {
01568 zlo=dk*boxz-fz;
01569 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01570 crs+=boxz*(2*zlo+boxz);
01571 } else if(dk<0) {
01572 zlo=(dk+1)*boxz-fz;
01573 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01574 crs+=boxz*(-2*zlo+boxz);
01575 } else {
01576 if(radius.cutoff(crs)>mrs) return true;
01577 crs+=gzs;
01578 }
01579 crs+=gys+boxx*(2*xlo+boxx);
01580 }
01581 } else if(di<0) {
01582 xlo=(di+1)*boxx-fx;
01583 crs=xlo*xlo;
01584 if(dj>0) {
01585 ylo=dj*boxy-fy;
01586 crs+=ylo*ylo;
01587 if(dk>0) {
01588 zlo=dk*boxz-fz;
01589 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01590 crs+=bxsq+2*(-boxx*xlo+boxy*ylo+boxz*zlo);
01591 } else if(dk<0) {
01592 zlo=(dk+1)*boxz-fz;
01593 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01594 crs+=bxsq+2*(-boxx*xlo+boxy*ylo-boxz*zlo);
01595 } else {
01596 if(radius.cutoff(crs)>mrs) return true;
01597 crs+=boxx*(-2*xlo+boxx)+boxy*(2*ylo+boxy)+gzs;
01598 }
01599 } else if(dj<0) {
01600 ylo=(dj+1)*boxy-fy;
01601 crs+=ylo*ylo;
01602 if(dk>0) {
01603 zlo=dk*boxz-fz;
01604 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01605 crs+=bxsq+2*(-boxx*xlo-boxy*ylo+boxz*zlo);
01606 } else if(dk<0) {
01607 zlo=(dk+1)*boxz-fz;
01608 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01609 crs+=bxsq+2*(-boxx*xlo-boxy*ylo-boxz*zlo);
01610 } else {
01611 if(radius.cutoff(crs)>mrs) return true;
01612 crs+=boxx*(-2*xlo+boxx)+boxy*(-2*ylo+boxy)+gzs;
01613 }
01614 } else {
01615 if(dk>0) {
01616 zlo=dk*boxz-fz;
01617 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01618 crs+=boxz*(2*zlo+boxz);
01619 } else if(dk<0) {
01620 zlo=(dk+1)*boxz-fz;
01621 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01622 crs+=boxz*(-2*zlo+boxz);
01623 } else {
01624 if(radius.cutoff(crs)>mrs) return true;
01625 crs+=gzs;
01626 }
01627 crs+=gys+boxx*(-2*xlo+boxx);
01628 }
01629 } else {
01630 if(dj>0) {
01631 ylo=dj*boxy-fy;
01632 crs=ylo*ylo;
01633 if(dk>0) {
01634 zlo=dk*boxz-fz;
01635 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01636 crs+=boxz*(2*zlo+boxz);
01637 } else if(dk<0) {
01638 zlo=(dk+1)*boxz-fz;
01639 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01640 crs+=boxz*(-2*zlo+boxz);
01641 } else {
01642 if(radius.cutoff(crs)>mrs) return true;
01643 crs+=gzs;
01644 }
01645 crs+=boxy*(2*ylo+boxy);
01646 } else if(dj<0) {
01647 ylo=(dj+1)*boxy-fy;
01648 crs=ylo*ylo;
01649 if(dk>0) {
01650 zlo=dk*boxz-fz;
01651 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01652 crs+=boxz*(2*zlo+boxz);
01653 } else if(dk<0) {
01654 zlo=(dk+1)*boxz-fz;
01655 crs+=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01656 crs+=boxz*(-2*zlo+boxz);
01657 } else {
01658 if(radius.cutoff(crs)>mrs) return true;
01659 crs+=gzs;
01660 }
01661 crs+=boxy*(-2*ylo+boxy);
01662 } else {
01663 if(dk>0) {
01664 zlo=dk*boxz-fz;crs=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01665 crs+=boxz*(2*zlo+boxz);
01666 } else if(dk<0) {
01667 zlo=(dk+1)*boxz-fz;crs=zlo*zlo;if(radius.cutoff(crs)>mrs) return true;
01668 crs+=boxz*(-2*zlo+boxz);
01669 } else {
01670 crs=0;
01671 cout << "Can't happen ... happened\n";
01672 }
01673 crs+=gys;
01674 }
01675 crs+=gxs;
01676 }
01677 return false;
01678 }
01679
01680 #include "worklist.cc"