Trisurf Monte Carlo simulator
Samo Penic
2014-12-16 6bc95bfe19012a33f185adf1476e623d98d33465
src/shdiscover.c
@@ -24,14 +24,15 @@
ts_fprintf(stdout,"P(0,0,0.5)=%f (%f)\n",plgndr(0,0,0.5),1.0);
ts_fprintf(stdout,"P(1,0,0.5)=%f (%f)\n",plgndr(1,0,0.5),0.5);
ts_fprintf(stdout,"P(2,0,0.5)=%f (%f)\n",plgndr(2,0,0.5),0.5*(3*0.5*0.5-1));
ts_fprintf(stdout,"P(2,2,0.5)=%f (ni to:%f)\n",plgndr(2,2,0.5),0.5*(3*0.5*0.5-1));
ts_fprintf(stdout,"Y(0,0,pi/6,pi/4)=%f (%f)\n",shY(0,0,M_PI/6,M_PI/4),sqrt(1/(4*M_PI)));
ts_fprintf(stdout,"Y(1,0,pi/6,pi/4)=%f (%f)\n",shY(1,0,M_PI/6,M_PI/4),sqrt(3/(4*M_PI))*cos(M_PI/6));
ts_fprintf(stdout,"Y(1,0,4*pi/6,6*pi/4)=%f (%f)\n",shY(1,0,4*M_PI/6,6*M_PI/4),sqrt(3/(4*M_PI))*cos(4*M_PI/6));
ts_fprintf(stdout,"Y(1,1,pi/6,pi/4)=%f (%f)\n",shY(1,1,M_PI/6,M_PI/4),-sqrt(3/(8*M_PI))*sin(M_PI/6)*sin(M_PI/4));
ts_fprintf(stdout,"Y(1,1,pi/6,pi/4)=%f (%f)\n",shY(1,1,M_PI/6,M_PI/4),-sqrt(3/(8*M_PI))*sin(M_PI/6)*cos(M_PI/4));
ts_fprintf(stdout,"Y(2,0,pi/6,pi/4)=%f (%f)\n",shY(2,0,M_PI/6,M_PI/4),sqrt(5/(4*M_PI))*(3.0/2.0*cos(M_PI/6)*cos(M_PI/6)-1.0/2.0));
ts_fprintf(stdout,"Y(2,-2,pi/6,pi/4)=%f (0)\n",shY(2,-2,M_PI/6,M_PI/4));
ts_fprintf(stdout,"Y(2,2,pi/6,pi/4)=%f (0)\n",shY(2,2,M_PI/6,M_PI/4));
ts_fprintf(stdout,"Y(2,2,pi/6,pi/3)=%f (%f)\n",shY(2,2,M_PI/6,M_PI/3), sqrt(15.0/(32.0*M_PI))*sin(M_PI/6)*sin(M_PI/6)*cos(2*M_PI/3));
   
   for(j=1;j<argc;j++){
      l=(int)sqrt(j-1); /* determine l from dataline */
@@ -41,17 +42,17 @@
/*we calculate new position of each vertex of vesicle */
for(i=0;i<n;i++){
   fi=atan2(vlist->vtx[i]->data->y, vlist->vtx[i]->data->x);
   fi=atan2(vlist->vtx[i]->y, vlist->vtx[i]->x);
/*   theta=atan2(
       sqrt(vlist->vtx[i]->data->x*vlist->vtx[i]->data->x + 
      vlist->vtx[i]->data->y*vlist->vtx[i]->data->y),
      vlist->vtx[i]->data->z 
       ); */
   theta=acos(
      vlist->vtx[i]->data->z /
       sqrt(vlist->vtx[i]->data->x*vlist->vtx[i]->data->x +
      vlist->vtx[i]->data->y*vlist->vtx[i]->data->y+
      vlist->vtx[i]->data->z*vlist->vtx[i]->data->z)
      vlist->vtx[i]->z /
       sqrt(vlist->vtx[i]->x*vlist->vtx[i]->x +
      vlist->vtx[i]->y*vlist->vtx[i]->y+
      vlist->vtx[i]->z*vlist->vtx[i]->z)
      );
@@ -66,9 +67,9 @@
      /*ts_fprintf(stdout,"l=%d, m=%d, u=%s\n",l,m,argv[j]);*/
   }
   vlist->vtx[i]->data->z=fabs(r)*cos(theta);
   vlist->vtx[i]->data->x=fabs(r)*sin(theta)*cos(fi);
   vlist->vtx[i]->data->y=fabs(r)*sin(theta)*sin(fi);
   vlist->vtx[i]->z=fabs(r)*cos(theta);
   vlist->vtx[i]->x=fabs(r)*sin(theta)*cos(fi);
   vlist->vtx[i]->y=fabs(r)*sin(theta)*sin(fi);
}
write_vertex_xml_file(vesicle,0);