From 464443e958f806fdc2b64ae77661a67c199b6204 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Thu, 11 Sep 2014 11:46:13 +0000 Subject: [PATCH] Fix in src makefile. --- src/bondflip.c | 37 +++++++++++++++++++++++++++++++++++-- 1 files changed, 35 insertions(+), 2 deletions(-) diff --git a/src/bondflip.c b/src/bondflip.c index 3a31a28..4c8b50c 100644 --- a/src/bondflip.c +++ b/src/bondflip.c @@ -169,7 +169,7 @@ oldenergy+=it->xk* it->energy; //Neigbours of k, it, km, kp don't change its energy. - if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){dvol = -lm->volume - lp->volume;} + if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){dvol = -lm->volume - lp->volume;} /* vesicle_volume(vesicle); fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume); @@ -188,11 +188,41 @@ //Neigbours of k, it, km, kp don't change its energy. delta_energy-=oldenergy; - if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){ + if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){ dvol = dvol + lm->volume + lp->volume; if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol; } + if(vesicle->tape->constvolswitch == 2){ + /*check whether the dvol is gt than epsvol */ + if(fabs(vesicle->volume+dvol-V0)>epsvol){ + //restore old state. + /* restoration procedure copied from few lines below */ + for(i=0;i<4;i++){ + // fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no ); + free(orig_vtx[i]->neigh); + free(orig_vtx[i]->tristar); + free(orig_vtx[i]->bond); + free(orig_tria[i]->neigh); + memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex)); + memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle)); + // fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no ); + /* 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]); + /* fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no ); + 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; + + } + + } else if(vesicle->tape->constvolswitch == 1){ retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup); if(retval==TS_FAIL){ @@ -275,6 +305,9 @@ /* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */ // fprintf(stderr,"SUCCESS!!!\n"); + if(vesicle->tape->constvolswitch == 2){ + vesicle->volume+=dvol; + } else if(vesicle->tape->constvolswitch == 1){ constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup); } -- Gitblit v1.9.3