| | |
| | | /* vim: set ts=4 sts=4 sw=4 noet : */ |
| | | #include<stdlib.h> |
| | | #include<math.h> |
| | | #include "general.h" |
| | |
| | | ts_double delta_energy_cv; |
| | | ts_vertex *constvol_vtx_moved, *constvol_vtx_backup; |
| | | ts_bool retval; |
| | | ts_double temp_area=0.0; |
| | | |
| | | if(it->neigh_no< 3) return TS_FAIL; |
| | | if(k->neigh_no< 3) return TS_FAIL; |
| | |
| | | oldenergy+=kp->xk* kp->energy; |
| | | oldenergy+=km->xk* km->energy; |
| | | oldenergy+=it->xk* it->energy; |
| | | oldenergy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */ |
| | | //Neigbours of k, it, km, kp don't change its energy. |
| | | |
| | | 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); |
| | | */ |
| | | |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | temp_area=vesicle->area-lm->area-lp->area; |
| | | } |
| | | /* fix data structure for flipped bond */ |
| | | ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1); |
| | | ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w); |
| | | |
| | | |
| | | /* Calculating the new energy */ |
| | |
| | | delta_energy+=kp->xk* kp->energy; |
| | | delta_energy+=km->xk* km->energy; |
| | | delta_energy+=it->xk* it->energy; |
| | | delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */ |
| | | //Neigbours of k, it, km, kp don't change its energy. |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | /* oldenergy+=lm->energy+lp->energy; |
| | | stretchenergy(vesicle,lm); |
| | | stretchenergy(vesicle,lp); |
| | | delta_energy+=lm->energy+lp->energy; |
| | | */ |
| | | temp_area=temp_area+lm->area+lp->area; |
| | | delta_energy+=stretchenergy2(temp_area,vesicle->tlist->a0*vesicle->tlist->n)-stretchenergy2(vesicle->area,vesicle->tlist->a0*vesicle->tlist->n); |
| | | } |
| | | |
| | | delta_energy-=oldenergy; |
| | | if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){ |
| | |
| | | // fprintf(stderr,"Restoration complete!!!\n"); |
| | | // vesicle_volume(vesicle); |
| | | // fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume); |
| | | |
| | | /* if(vesicle->tape->stretchswitch==1){ |
| | | stretchenergy(vesicle,lm); |
| | | stretchenergy(vesicle,lp); |
| | | } |
| | | */ |
| | | return TS_FAIL; |
| | | } |
| | | } |
| | |
| | | if(vesicle->tape->constareaswitch==2){ |
| | | vesicle->area+=darea; |
| | | } |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | vesicle->area=temp_area; |
| | | } |
| | | |
| | | // delete all backups |
| | | for(i=0;i<4;i++){ |
| | | free(bck_vtx[i]->neigh); |
| | |
| | | |
| | | |
| | | ts_bool ts_flip_bond(ts_vertex *k,ts_vertex *it,ts_vertex *km, ts_vertex *kp, |
| | | ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1){ |
| | | ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1, ts_double w_energy){ |
| | | |
| | | ts_uint i; //lmidx, lpidx; |
| | | if(k==NULL || it==NULL || km==NULL || kp==NULL){ |
| | |
| | | energy_vertex(kp); |
| | | energy_vertex(km); |
| | | energy_vertex(it); |
| | | attraction_bond_energy(bond, w_energy); |
| | | // END modifications to data structure! |
| | | return TS_SUCCESS; |
| | | } |