| | |
| | | #include "triangle.h" |
| | | #include "initial_distribution.h" |
| | | #include "energy.h" |
| | | #include "poly.h" |
| | | #include "io.h" |
| | | |
| | | ts_vesicle *initial_distribution_dipyramid(ts_uint nshell, ts_uint ncmax1, ts_uint ncmax2, ts_uint ncmax3, ts_double stepsize){ |
| | | ts_fprintf(stderr,"Starting initial_distribution on vesicle with %u shells!...\n",nshell); |
| | | ts_fprintf(stdout,"Starting initial_distribution on vesicle with %u shells!...\n",nshell); |
| | | ts_bool retval; |
| | | ts_uint no_vertices=5*nshell*nshell+2; |
| | | |
| | | |
| | | |
| | | ts_vesicle *vesicle=init_vesicle(no_vertices,ncmax1,ncmax2,ncmax3,stepsize); |
| | | |
| | | //TODO: debugging only. Please remove ASAP! |
| | | vesicle->bending_rigidity=25.0; |
| | | |
| | | vesicle->nshell=nshell; |
| | | retval = vtx_set_global_values(vesicle); |
| | | retval = pentagonal_dipyramid_vertex_distribution(vesicle->vlist); |
| | | retval = init_vertex_neighbours(vesicle->vlist); |
| | | vesicle->vlist = init_sort_neighbours(vesicle->blist,vesicle->vlist); |
| | | ts_uint no_vertices=5*nshell*nshell+2; |
| | | ts_vesicle *vesicle=init_vesicle(no_vertices,ncmax1,ncmax2,ncmax3,stepsize); |
| | | vesicle->nshell=nshell; |
| | | //retval = vtx_set_global_values(vesicle); |
| | | retval = pentagonal_dipyramid_vertex_distribution(vesicle->vlist); |
| | | retval = init_vertex_neighbours(vesicle->vlist); |
| | | vesicle->vlist = init_sort_neighbours(vesicle->blist,vesicle->vlist); |
| | | // retval = init_vesicle_bonds(vesicle); // bonds are created in sort_neigh |
| | | retval = init_triangles(vesicle); |
| | | retval = init_triangle_neighbours(vesicle); |
| | | retval = init_common_vertex_triangle_neighbours(vesicle); |
| | | retval = init_normal_vectors(vesicle->tlist); |
| | | retval = mean_curvature_and_energy(vesicle); |
| | | ts_fprintf(stderr,"initial_distribution finished!\n"); |
| | | retval = init_triangles(vesicle); |
| | | retval = init_triangle_neighbours(vesicle); |
| | | retval = init_common_vertex_triangle_neighbours(vesicle); |
| | | retval = init_normal_vectors(vesicle->tlist); |
| | | retval = mean_curvature_and_energy(vesicle); |
| | | ts_fprintf(stdout,"initial_distribution finished!\n"); |
| | | if(retval); |
| | | return vesicle; |
| | | } |
| | | |
| | | |
| | | |
| | | ts_vesicle *create_vesicle_from_tape(ts_tape *tape){ |
| | | ts_vesicle *vesicle; |
| | | vesicle=initial_distribution_dipyramid(tape->nshell,tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize); |
| | | vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle); |
| | | vesicle->spring_constant=tape->kspring; |
| | | poly_assign_spring_const(vesicle); |
| | | |
| | | vesicle->nshell=tape->nshell; |
| | | vesicle->dmax=tape->dmax*tape->dmax; /* dmax^2 in the vesicle dmax variable */ |
| | | vesicle->bending_rigidity=tape->xk0; |
| | | vtx_set_global_values(vesicle); /* make xk0 default value for every vertex */ |
| | | ts_fprintf(stdout, "Tape setting: xk0=%e\n",tape->xk0); |
| | | vesicle->stepsize=tape->stepsize; |
| | | vesicle->clist->ncmax[0]=tape->ncxmax; |
| | | vesicle->clist->ncmax[1]=tape->ncymax; |
| | | vesicle->clist->ncmax[2]=tape->nczmax; |
| | | vesicle->clist->max_occupancy=8; /* hard coded max occupancy? */ |
| | | |
| | | vesicle->pressure= tape->pressure; |
| | | vesicle->pswitch=tape->pswitch; |
| | | |
| | | return vesicle; |
| | | |
| | | } |
| | | |
| | | |
| | | |
| | | |
| | | |
| | | ts_bool pentagonal_dipyramid_vertex_distribution(ts_vertex_list *vlist){ |
| | | /* Some often used relations */ |
| | | const ts_double s1= sin(2.0*M_PI/5.0); |