Trisurf Monte Carlo simulator
Samo Penic
2012-06-07 9bf6ee3e299ae9d5627c15814bfad56bf47e9917
src/sh.c
@@ -9,11 +9,12 @@
    ts_uint j,i;
    ts_spharm *sph=(ts_spharm *)malloc(sizeof(ts_spharm));
    /* lets initialize Ylm for each vertex. */
    sph->Ylmi=(ts_double ***)calloc(l,sizeof(ts_double **));
    for(i=0;i<vlist->n;i++){
            sph->Ylmi[i]=(ts_double **)calloc(2*l+1,sizeof(ts_double *));
            for(j=0;j<l;j++){
    for(i=0;i<l;i++){
            sph->Ylmi[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *));
            for(j=0;j<(2*i+1);j++){
                sph->Ylmi[i][j]=(ts_double *)calloc(vlist->n,sizeof(ts_double));
            }
    }
@@ -26,14 +27,17 @@
    /* lets initialize co */
    sph->co=(ts_double **)calloc(l,sizeof(ts_double *));
    for(j=0;j<l;j++){
        sph->co[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
//NOTE: C is has zero based indexing. Code is imported from fortran and to comply with original indexes we actually generate one index more. Also second dimension is 2*j+2 instead of 2*j+2. elements starting with 0 are useles and should be ignored!
    sph->co=(ts_double **)calloc(l+1,sizeof(ts_double *));
    for(j=0;j<=l;j++){
        sph->co[j]=(ts_double *)calloc(2*j+2,sizeof(ts_double));
    }
    /* Calculate coefficients that will remain constant during all the simulation */
    precomputeShCoeff(sph);
    sph->l=l;
    /* Calculate coefficients that will remain constant during all the simulation */
   precomputeShCoeff(sph);
    return sph;
}
@@ -44,13 +48,14 @@
        if(sph->ulm[i]!=NULL) free(sph->ulm[i]);
        if(sph->co[i]!=NULL) free(sph->co[i]);
    }
        if(sph->co[sph->l]!=NULL) free(sph->co[sph->l]);
    if(sph->co != NULL) free(sph->co);
    if(sph->ulm !=NULL) free(sph->ulm);
        if(sph->Ylmi!=NULL) {
            for(i=0;i<sph->l;i++){
                if(sph->Ylmi[i]!=NULL){
                    for(j=0;j<sph->l*2+1;j++){
                    for(j=0;j<i*2+1;j++){
                        if(sph->Ylmi[i][j]!=NULL) free (sph->Ylmi[i][j]);
                    }
                    free(sph->Ylmi[i]);
@@ -115,20 +120,22 @@
}
/** @brief: Precomputes coefficients that are required for spherical harmonics computations.
*/
ts_bool precomputeShCoeff(ts_spharm *sph){
    ts_int i,j,al,am;
    ts_double **co=sph->co;
    for(i=0;i<sph->l;i++){
        al=i+1;
    for(i=1;i<=sph->l;i++){
        al=i;
        sph->co[i][i+1]=sqrt((2.0*al+1.0)/2.0/M_PI);
        for(j=0;j<al;j++){
            am=j+1;
            sph->co[i][i+1+j]=co[i][i+j]*sqrt(1.0/(al-am+1)/(al+am));
        for(j=1;j<=i-1;j++){
            am=j;
            sph->co[i][i+1+j]=co[i][i+j]*sqrt(1.0/(al-am+1.0)/(al+am));
            sph->co[i][i+1-j]=co[i][i+1+j];
        }
        co[i][2*i]=co[i][2*i]*sqrt(1.0/(2.0*al));
        co[i][0]=co[i][2*i+1];
        co[i][2*i+1]=co[i][2*i]*sqrt(1.0/(2.0*al));
        co[i][1]=co[i][2*i+1];
        co[i][i+1]=sqrt((2.0*al+1.0)/4.0/M_PI);
    }
    return TS_SUCCESS;