Ylmi and Ulm seems to be working... needs to be further debugged. Triangle ...

Samo Penic

2012-06-07 79048ff443472f339a95f070940a6df4b14a9035

 src/sh.c

@@ -3,6 +3,71 @@
#include "general.h"
#include "sh.h"



ts_spharm *sph_init(ts_vertex_list *vlist, ts_uint l){
    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<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));
            }
    }
        
    /* lets initialize ulm */
    sph->ulm=(ts_double **)calloc(l,sizeof(ts_double *));
    for(j=0;j<l;j++){
        sph->ulm[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
    }


    /* lets initialize co */
//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));
    }

    sph->l=l;   

    /* Calculate coefficients that will remain constant during all the simulation */ 
   precomputeShCoeff(sph);
    
    return sph;
}


ts_bool sph_free(ts_spharm *sph){
    int i,j;
    for(i=0;i<sph->l;i++){
        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<i*2+1;j++){
                        if(sph->Ylmi[i][j]!=NULL) free (sph->Ylmi[i][j]);
                    }
                    free(sph->Ylmi[i]);
                }
            }
            free(sph->Ylmi);
        }

    free(sph);
    return TS_SUCCESS;
}

/* Gives you legendre polynomials. Taken from NR, p. 254 */
ts_double plgndr(ts_int l, ts_int m, ts_float x){
   ts_double fact, pll, pmm, pmmp1, somx2;
@@ -55,14 +120,23 @@
}


/** @brief: Precomputes coefficients that are required for spherical harmonics computations.

*/
ts_bool precomputeShCoeff(ts_spharm *sph){
    ts_uint i,j;
    for(i=0;i<sph->l;i++){
        sph->co[i][i]=sqrt((2.0*i+1.0)/2.0/M_PI);
        for(j=0;j<i-1;j++){
            
    ts_int i,j,al,am;
    ts_double **co=sph->co;
    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=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+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;

@@ -203,18 +277,23 @@
    ts_spharm *sph=vesicle->sphHarmonics;
    ts_coord *coord=(ts_coord *)malloc(sizeof(ts_coord));
    ts_double fi, theta;
   ts_int m;
    ts_vertex *cvtx;
    for(k=0;k<vesicle->vlist->n;k++){
        cvtx=vesicle->vlist->vtx[k];
        sph->Ylmi[0][0][k]=sqrt(1.0/4.0/M_PI);
        cart2sph(coord,vesicle->vlist->vtx[k]->x, vesicle->vlist->vtx[k]->y, vesicle->vlist->vtx[k]->z);
        cart2sph(coord,cvtx->x, cvtx->y, cvtx->z);
        fi=coord->e2;
        theta=coord->e3; 
        for(i=0; i<sph->l; i++){
        for(i=1; i<sph->l; i++){
            for(j=0;j<i;j++){
                sph->Ylmi[i][j][k]=sph->co[i][j]*cos((j-i-1)*fi)*pow(-1,j-i-1)*plgndr(i,abs(j-i-1),cos(theta));
         m=j+1;
                sph->Ylmi[i][j][k]=sph->co[i][m]*cos((m-i-1)*fi)*pow(-1,m-i-1)*plgndr(i,abs(m-i-1),cos(theta));
            }
                sph->Ylmi[i][j+1][k]=sph->co[i][j+1]*plgndr(i,0,cos(theta));
            for(j=sph->l;j<2*i;j++){
                sph->Ylmi[i][j][k]=sph->co[i][j]*sin((j-i-1)*fi)*plgndr(i,j-i-1,cos(theta));
                sph->Ylmi[i][j+1][k]=sph->co[i][m+1]*plgndr(i,0,cos(theta));
            for(j=i+1;j<2*i;j++){
         m=j+1;
                sph->Ylmi[i][j][k]=sph->co[i][m]*sin((m-i-1)*fi)*plgndr(i,m-i-1,cos(theta));
            }
        }