Improved tsmeasure. Found a nasty bug in trisurf regarding snapshot accurac...

Samo Penic

2016-05-18 aad5008716b9f53c40233a8d891bea82d1b3e5f3

Improved tsmeasure. Found a nasty bug in trisurf regarding snapshot accuracy. Fixed it.

 src/io.c

@@ -862,13 +862,13 @@

    fprintf(fh,"</DataArray>\n</PointData>\n<CellData>\n</CellData>\n<Points>\n<DataArray type=\"Float64\" Name=\"Koordinate tock\" NumberOfComponents=\"3\" format=\"ascii\">\n");
    for(i=0;i<vlist->n;i++){
        fprintf(fh,"%e %e %e\n",vtx[i]->x,vtx[i]->y, vtx[i]->z);
        fprintf(fh,"%.17e %.17e %.17e\n",vtx[i]->x,vtx[i]->y, vtx[i]->z);
    }
    //polymeres
    if(poly){
        for(i=0;i<vesicle->poly_list->n;i++){
            for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
                fprintf(fh,"%e %e %e\n", vesicle->poly_list->poly[i]->vlist->vtx[j]->x,vesicle->poly_list->poly[i]->vlist->vtx[j]->y, vesicle->poly_list->poly[i]->vlist->vtx[j]->z );
                fprintf(fh,"%.17e %.17e %.17e\n", vesicle->poly_list->poly[i]->vlist->vtx[j]->x,vesicle->poly_list->poly[i]->vlist->vtx[j]->y, vesicle->poly_list->poly[i]->vlist->vtx[j]->z );
            }
        }
    }
@@ -876,7 +876,7 @@
    if(fil){
        for(i=0;i<vesicle->filament_list->n;i++){
            for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
                fprintf(fh,"%e %e %e\n", vesicle->filament_list->poly[i]->vlist->vtx[j]->x,vesicle->filament_list->poly[i]->vlist->vtx[j]->y, vesicle->filament_list->poly[i]->vlist->vtx[j]->z );
                fprintf(fh,"%.17e %.17e %.17e\n", vesicle->filament_list->poly[i]->vlist->vtx[j]->x,vesicle->filament_list->poly[i]->vlist->vtx[j]->y, vesicle->filament_list->poly[i]->vlist->vtx[j]->z );
            }
        }
    }

 src/tsmeasure.c

@@ -40,7 +40,7 @@
    calculateUlmComplex(vesicle);
    ts_int i,j;
    for(i=0;i<vesicle->sphHarmonics->l;i++){
            for(j=0;j<2*i+1;j++){
            for(j=i;j<2*i+1;j++){
            printf("%e ", gsl_complex_abs2(vesicle->sphHarmonics->ulmComplex[i][j]));
            }
    }
@@ -51,18 +51,19 @@
int main(){
    ts_vesicle *vesicle;
    ts_char *i,*j;
    ts_uint tstep;
    ts_uint tstep,n;
        ts_char *number;
    struct dirent **list;
    int count;
    ts_fprintf(stdout,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__);
    ts_fprintf(stdout,"Programming done by: Samo Penic and Miha Fosnaric\n");
    ts_fprintf(stdout,"Released under terms of GPLv3\n");
    ts_fprintf(stdout,"Starting program...\n\n");
    DIR *dir = opendir(".");
    if(dir){
    count=scandir(".",&list,0,alphasort);
    if(count<0){
        fatal("Error, cannot open directory.",1);
    }
        tstep=0;
    for(n=0;n<count;n++){
        struct dirent *ent;
            tstep=0;
        while((ent = readdir(dir)) != NULL)
        {
        ent=list[n];	
                i=rindex(ent->d_name,'.');
                if(i==NULL) continue;
                if(strcmp(i+1,"vtu")==0){
@@ -71,19 +72,16 @@
                    number=strndup(j+1,j-i); 
            quiet=1;
                    ts_fprintf(stdout,"timestep: %u filename: %s\n",atoi(number),ent->d_name);
            printf("%u ",atoi(number));
            vesicle=restoreVesicle(ent->d_name);
            vesicle_calculate_ulm2(vesicle);
                        tstep++;
            //vesicle_free(vesicle);
                    free(number);
                }  
                }
        free(ent);  
        }
    }
    free(dir);




return 0;
    free(list);
    return 0;
}