| | |
| | | ts_double delta_energy, delta_energy_cv,oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0; |
| | | ts_double costheta,sintheta,phi,r; |
| | | //This will hold all the information of vtx and its neighbours |
| | | ts_vertex backupvtx[20], *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL; |
| | | memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex)); |
| | | ts_vertex backupvtx[20], *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL; |
| | | memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex)); |
| | | |
| | | //random move in a sphere with radius stepsize: |
| | | r=vesicle->stepsize*rn[0]; |
| | | phi=rn[1]*2*M_PI; |
| | | costheta=2*rn[2]-1; |
| | | sintheta=sqrt(1-pow(costheta,2)); |
| | | vtx->x=vtx->x+r*sintheta*cos(phi); |
| | | vtx->y=vtx->y+r*sintheta*sin(phi); |
| | | vtx->z=vtx->z+r*costheta; |
| | | //random move in a sphere with radius stepsize: |
| | | r=vesicle->stepsize*rn[0]; |
| | | phi=rn[1]*2*M_PI; |
| | | costheta=2*rn[2]-1; |
| | | sintheta=sqrt(1-pow(costheta,2)); |
| | | vtx->x=vtx->x+r*sintheta*cos(phi); |
| | | vtx->y=vtx->y+r*sintheta*sin(phi); |
| | | vtx->z=vtx->z+r*costheta; |
| | | |
| | | |
| | | // TODO: Maybe faster if checks only nucleus-neighboring cells |
| | | // Nucleus penetration check: |
| | | //#define SQ(x) x*x |
| | | if(vesicle->R_nucleus>0.0){ |
| | | if ((vtx->x-vesicle->nucleus_center[0])*(vtx->x-vesicle->nucleus_center[0])+ (vtx->y-vesicle->nucleus_center[1])*(vtx->y-vesicle->nucleus_center[1]) + (vtx->z-vesicle->nucleus_center[2])*(vtx->z-vesicle->nucleus_center[2]) < vesicle->R_nucleus){ |
| | | vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex)); |
| | | return TS_FAIL; |
| | | } |
| | | } else if(vesicle->R_nucleusX>0.0){ |
| | | // fprintf(stderr,"DEBUG, (Rx, Ry,Rz)^2=(%f,%f,%f)\n",vesicle->R_nucleusX, vesicle->R_nucleusY, vesicle->R_nucleusZ); |
| | | // if (SQ(vtx->x-vesicle->nucleus_center[0])/vesicle->R_nucleusX + SQ(vtx->y-vesicle->nucleus_center[1])/vesicle->R_nucleusY + SQ(vtx->z-vesicle->nucleus_center[2])/vesicle->R_nucleusZ < 1.0){ |
| | | if ((vtx->x-vesicle->nucleus_center[0])*(vtx->x-vesicle->nucleus_center[0])/vesicle->R_nucleusX + (vtx->y-vesicle->nucleus_center[1])*(vtx->y-vesicle->nucleus_center[1])/vesicle->R_nucleusY + (vtx->z-vesicle->nucleus_center[2])*(vtx->z-vesicle->nucleus_center[2])/vesicle->R_nucleusZ < 1.0){ |
| | | // if (SQ(vtx->x)/vesicle->R_nucleusX + SQ(vtx->y)/vesicle->R_nucleusY + SQ(vtx->z)/vesicle->R_nucleusZ < 1.0){ |
| | | vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex)); |
| | | return TS_FAIL; |
| | | } |
| | | |
| | | } |
| | | |
| | | // plane confinement check whether the new position of vertex will be out of bounds |
| | | // plane confinement check whether the new position of vertex will be out of bounds |
| | | if(vesicle->tape->plane_confinement_switch){ |
| | | if(vtx->z>vesicle->confinement_plane.z_max || vtx->z<vesicle->confinement_plane.z_min){ |
| | | vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex)); |
| | | return TS_FAIL; |
| | | } |
| | | } |
| | | //#undef SQ |
| | | |
| | | /* Entry point for plugin vm_hard_constraint() function */ |
| | | for(i=0; i<vesicle->plist->n;i++){ |
| | | retval = vesicle->plist->plugin[i]->function->vm_hard_constraint(vesicle,vtx,&backupvtx[0]); |
| | | ts_plugin_chain *ptr=vesicle->plist->chain->vm_hard_constraint; |
| | | while(ptr!=NULL){ |
| | | retval = ptr->plugin->function->vm_hard_constraint(vesicle,vtx, &backupvtx[0]); |
| | | if(retval==TS_FAIL){ |
| | | vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex)); |
| | | return TS_FAIL; |
| | | } |
| | | ptr=ptr->next; |
| | | } |
| | | |
| | | |
| | | |
| | | //if all the tests are successful, then energy for vtx and neighbours is calculated |
| | | for(i=0;i<vtx->neigh_no;i++){ |