Added complex spherical harmonics.

Samo Penic

2014-04-21 459ff94855b2659de14ac2ac902b9658d28e19d5

 src/spherical_trisurf.c

@@ -19,11 +19,14 @@
*/
ts_bool saveAvgUlm2(ts_vesicle *vesicle);
int main(int argv, char *argc[]){
ts_uint i,j;
ts_uint i,j,k;
ts_vesicle *vesicle;
ts_double r0;
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);

//similar to nmax in fortran code
ts_uint nmax;

//these four must come from parsetype!
vesicle->dmax=1.67*1.67;
@@ -33,6 +36,21 @@
//fprintf(stderr,"xk=%f",vesicle->bending_rigidity);

   centermass(vesicle);
cell_occupation(vesicle);

//test if the structure is internally organized into cells correctly 
ts_uint cind;
for(i=0;i<vesicle->vlist->n;i++){
   cind=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]);

   if(vesicle->clist->cell[cind]==vesicle->vlist->vtx[i]->cell){
      //fprintf(stdout,"(T) Idx match!\n");
   } else {
      fprintf(stderr,"(T) ***** Idx don't match!\n");

   }
}
//end test
vesicle->sphHarmonics=sph_init(vesicle->vlist, 21);

vesicle_volume(vesicle);
@@ -42,14 +60,26 @@
calculateYlmi(vesicle);
calculateUlm(vesicle);



for(i=0;i<5;i++){
//preloop:
ts_double vmsr, bfsr;
for(i=0;i<1000;i++){
   cell_occupation(vesicle);
   for(j=0;j<1000;j++){
      single_timestep(vesicle);
      single_timestep(vesicle, &vmsr, &bfsr);
   }   
   centermass(vesicle);
   fprintf(stderr, "Preloop %d completed.\n",i+1);
}

nmax=1000;
for(i=0;i<nmax;i++){
   for(j=0;j<200;j++){
      cell_occupation(vesicle);
      for(k=0;k<5;k++){
      single_timestep(vesicle, &vmsr, &bfsr);
      }
      centermass(vesicle);
   }	
    vesicle_volume(vesicle);
    r0=getR0(vesicle);

@@ -61,8 +91,10 @@
    saveAvgUlm2(vesicle);

   write_vertex_xml_file(vesicle,i);
   fprintf(stderr, "Loop %d completed.\n",i+1);
   fprintf(stderr, "Loop %d out of %d completed.\n",i+1,nmax);

}

write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
@@ -72,26 +104,3 @@



ts_bool saveAvgUlm2(ts_vesicle *vesicle){

   FILE *fh;
	
   fh=fopen("sph2out.dat", "w");
   if(fh==NULL){
      err("Cannot open file %s for writing");
      return TS_FAIL;
   }

   ts_spharm *sph=vesicle->sphHarmonics;
   ts_int i,j;
   fprintf(fh,"l,\tm,\tulm^2avg\n");
   for(i=0;i<sph->l;i++){
          for(j=0;j<2*i+1;j++){
      fprintf(fh,"%d,\t%d,\t%e\n", i, j-i, sph->sumUlm2[i][j]/(ts_double)sph->N);

          }
    fprintf(fh,"\n");
   }
   fclose(fh);
   return TS_SUCCESS;
}