Bondflip doesnt segfaults anymore. Bondflip is disabled, debugging vertexmove

Samo Penic

2014-04-29 b2fa8c6b55c420c079f285224f8d56ed03939767

Bondflip doesnt segfaults anymore. Bondflip is disabled, debugging vertexmove

 src/bondflip.c

@@ -189,9 +189,8 @@
        if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol;
    }

    retval=TS_SUCCESS;
    if(vesicle->tape->constvolswitch == 1){
        retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        retval=constvolume(vesicle, it, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        if(retval==TS_FAIL){
/* restoration procedure copied from few lines below */
        for(i=0;i<4;i++){
@@ -206,7 +205,6 @@
            /* level 2 pointers are redirected*/
        }
        memcpy(bond,bck_bond,sizeof(ts_bond));

        for(i=0;i<4;i++){
            free(bck_vtx[i]);
            free(bck_tria[i]);
@@ -214,13 +212,11 @@
            for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
            fprintf(stderr,"\n"); */
        }

        free(bck_bond);
        return TS_FAIL;

        }
    
    delta_energy+=delta_energy_cv;

        delta_energy+=delta_energy_cv;
    }


@@ -239,6 +235,9 @@
            //not accepted, reverting changes
        //restore all backups
//        fprintf(stderr,"Restoring!!!\n");
        if(vesicle->tape->constvolswitch == 1){
            constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
        }

        for(i=0;i<4;i++){
//            fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
@@ -263,9 +262,6 @@

        free(bck_bond);

        if(vesicle->tape->constvolswitch == 1){
            constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
        }
//        fprintf(stderr,"Restoration complete!!!\n");

        return TS_FAIL;
@@ -274,6 +270,9 @@
     /* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
//            fprintf(stderr,"SUCCESS!!!\n");

    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }
    // delete all backups
    for(i=0;i<4;i++){
    free(bck_vtx[i]->neigh);
@@ -288,9 +287,6 @@
*/    
    }
    free(bck_bond);
    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }

    return TS_SUCCESS;
}

 src/constvol.c

@@ -15,7 +15,6 @@
    ts_uint Ntries=20;
    ts_vertex *backupvtx;
    ts_double Rv, dh, dvol, voldiff, oenergy,delta_energy;

    backupvtx=(ts_vertex *)calloc(sizeof(ts_vertex),10);
    ts_double l0 = (1.0 + sqrt(vesicle->dmax))/2.0; //make this a global constant if necessary
    for(i=0;i<Ntries;i++){
@@ -25,6 +24,11 @@

        for(j=0;j<vtx_moved->neigh_no;j++){
            if(vtx_moved->neigh[j]==vtx_avoid) continue;
/*            for(k=0;k<vtx_moved->neigh[j]->neigh_no;k++){
                if(vtx_moved->neigh[j]->neigh[k]==vtx_avoid) continue;
            }   
*/

        }
         
        memcpy((void *)&backupvtx[0],(void *)vtx_moved,sizeof(ts_vertex));
@@ -46,8 +50,8 @@
//        fprintf(stderr,"Sprejet.\n");

        // All checks OK!
            fprintf(stderr, "Step 1 success\n");

        // doing second and final move.
        for(j=0;j<vtx_moved->neigh_no;j++){
            memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex));
        }
@@ -74,8 +78,10 @@
            *retEnergy=delta_energy;
            *vtx_backup=backupvtx;
            *vtx_moved_retval=vtx_moved;
            fprintf(stderr, "Preliminary success\n");
            return TS_SUCCESS;
        }        
            fprintf(stderr, "Step 2 success\n");
        //do it again ;)
        dh=Vol*dh/dvol;
        vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
@@ -91,7 +97,16 @@
            continue;
        }

        dvol=0.0;
        for(j=0;j<vtx_moved->tristar_no;j++){
            dvol-=vtx_moved->tristar[j]->volume;
            triangle_normal_vector(vtx_moved->tristar[j]);
            dvol+=vtx_moved->tristar[j]->volume;
        }

            fprintf(stderr, "Step 3a success voldiff=%e\n",voldiff);
        voldiff=dvol-Vol;
            fprintf(stderr, "Step 3b success voldiff=%e\n",voldiff);
        if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){
            //calculate energy, return change in energy...
            oenergy=vtx_moved->energy;
@@ -106,12 +121,14 @@
            *retEnergy=delta_energy;
            *vtx_backup=backupvtx;
            *vtx_moved_retval=vtx_moved;
            fprintf(stderr, "DVOL=%e\n",voldiff);
            return TS_SUCCESS;
        }        


    }
    free(backupvtx);
            fprintf(stderr, "fail\n");
    return TS_FAIL;
}


 src/timestep.c

@@ -88,7 +88,7 @@
ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){
    ts_bool retval;
    ts_double rnvec[3];
    ts_uint i,j,b;
    ts_uint i,j;//b;
    ts_uint vmsrcnt=0;
    for(i=0;i<vesicle->vlist->n;i++){
        rnvec[0]=drand48();
@@ -100,10 +100,11 @@

    ts_int bfsrcnt=0;
    for(i=0;i<3*vesicle->vlist->n;i++){
    b=rand() % vesicle->blist->n;
//    b=rand() % vesicle->blist->n;
        //find a bond and return a pointer to a bond...
        //call single_bondflip_timestep...
        retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
     //   retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
    retval=TS_FAIL;
    if(retval==TS_SUCCESS) bfsrcnt++;        
    }


 src/vertexmove.c

@@ -119,7 +119,7 @@
    };

   if(vesicle->tape->constvolswitch == 1){
        retval=constvolume(vesicle, vtx, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        retval=constvolume(vesicle, vtx, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        if(retval==TS_FAIL){ // if we couldn't move the vertex to assure constant volume
            vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
            for(i=0;i<vtx->neigh_no;i++){