fixed some of the issues while reconstructing wesicles. Added Nbw/Nb metric...

Samo Penic

2016-07-03 89434d44fc91bf6dbaf023b3f3218c892420d908

fixed some of the issues while reconstructing wesicles. Added Nbw/Nb metrics to the tspoststat tool.

 src/restore.c

@@ -85,6 +85,7 @@

    init_normal_vectors(vesicle->tlist);
    mean_curvature_and_energy(vesicle);
    sweep_attraction_bond_energy(vesicle);

/* TODO: filaments */

@@ -186,7 +187,6 @@

    vesicle->tape=tape;
    set_vesicle_values_from_tape(vesicle);

    return vesicle;
}


 src/tspoststat.c

@@ -51,6 +51,18 @@

}



int count_bonds_with_energy(ts_bond_list *blist){

    unsigned int i, cnt;
    cnt=0;
    for(i=0;i<blist->n;i++){
        if(fabs(blist->bond[i]->energy)>1e-16) cnt++;
    }
    return cnt;
}

int main(){
    ts_vesicle *vesicle;
    ts_char *i,*j;
@@ -61,7 +73,7 @@
    int count;
    ts_fprintf(stderr,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__);

    fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nb/Ncb\n");
    fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb\n");


    count=scandir(".",&list,0,alphasort);
@@ -88,7 +100,7 @@
            vesicle_volume(vesicle);
            vesicle_area(vesicle);
            gyration_eigen(vesicle,&l1,&l2,&l3);
            fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3),
            fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3, (ts_double)count_bonds_with_energy(vesicle->blist)/(ts_double)vesicle->blist->n),
                        tstep++;

                    free(number);