#include #include #include #include "general.h" #include "vertex.h" #include "bond.h" #include ts_vertex_list *init_vertex_list(ts_uint N){ ts_int i; ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list)); if(N==0){ err("Initialized vertex list with zero elements. Pointer set to NULL"); vlist->n=0; vlist->vtx=NULL; return vlist; } vlist->vtx=(ts_vertex **)calloc(N,sizeof(ts_vertex *)); if(vlist->vtx==NULL) fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100); for(i=0;ivtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex)); vlist->vtx[i]->idx=i; /* initialize Ylm for spherical hamonics DONE in sh.c */ /* for(i=0;ivtx[i]->Ylm[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *)); for(j=0;j<(2*i+1);j++){ clist->vtx[i]->Ylm[i][j]=(ts_double *)calloc(sizeof(ts_double)); } } */ } vlist->n=N; return vlist; } ts_bool vertex_list_add_vtx(ts_vertex_list *vlist, ts_vertex *vtx){ #ifdef DEBUG if(vtx==NULL || vlist==NULL) return TS_FAIL; #endif if(vlist->list_size < vlist->n+1){ vlist->vtx=(ts_vertex **)realloc(vlist->vtx, (vlist->list_size+TS_VLIST_CHUNK)*sizeof(ts_vertex*)); if(vlist->vtx==NULL){ fatal("Error in vertex_list_add. Could not reallocate memory space.",9999); } vlist->list_size+=TS_VLIST_CHUNK; } vlist->vtx[n]=vtx; vlist->n++; return TS_SUCCESS; } /* Idea is to delete vertex by removing it from list. The emply place is then filled in by the last vertex in the list. List can then be resized by one -- unless resize is required when max list size - real list size > predefined value */ ts_bool vertex_list_remove_vtx(ts_vertex_list *vlist, ts_vertex *vtx){ #ifdef DEBUG if(vtx==NULL || vlist==NULL) return TS_FAIL; #endif for(i=0; in;i++){ if(vlist->vtx[i]==vtx){ vlist->vtx[i]=vlist->vtx[n-1]; vlist->n--; if(vlist->list_size-vlist->n > TS_VLIST_CHUNK){ vlist->vtx=(ts_vertex **)realloc(vlist->vtx, (vlist->list_size-TS_VLIST_CHUNK)*sizeof(ts_vertex*)); if(vlist->vtx==NULL){ fatal("Error in vertex_list_add. Could not reallocate memory space.",9999); } vlist->list_size-=TS_VLIST_CHUNK; } return TS_SUCCESS; } } return TS_FAIL; } ts_bool vtx_add_neighbour(ts_vertex *vtx, ts_vertex *nvtx){ ts_uint i; /* no neighbour can be null! */ if(vtx==NULL || nvtx==NULL) return TS_FAIL; /*if it is already a neighbour don't add it to the list */ for(i=0; ineigh->n;i++){ if(vtx->neigh->vtx[i]==nvtx) return TS_FAIL; } ts_uint nn=++vtx->neigh->n; vtx->neigh=(ts_vertex **)realloc(vtx->neigh, nn*sizeof(ts_vertex *)); vtx->neigh[nn-1]=nvtx; return TS_SUCCESS; } /* TODO: optimize this. test this. */ ts_bool vtx_remove_neighbour(ts_vertex *vtx, ts_vertex *nvtx){ /* find a neighbour */ /* remove it from the list while shifting remaining neighbours up */ ts_uint i,j=0; for(i=0;ineigh_no;i++){ // fprintf(stderr,"neigh_addr=%ld\n", (long)vtx->neigh[i]); if(vtx->neigh[i]!=nvtx){ vtx->neigh[j]=vtx->neigh[i]; j++; } } // fprintf(stderr,"remove_neighbour: vtx1_addr=%ld, vtx2_addr=%ld\n",(long)vtx,(long)nvtx); /* resize memory. potentionally time consuming */ vtx->neigh_no--; vtx->neigh=(ts_vertex **)realloc(vtx->neigh,vtx->neigh_no*sizeof(ts_vertex *)); if(vtx->neigh == NULL && vtx->neigh_no!=0) fatal("(1) Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); //fprintf(stderr,"first alloc"); /* repeat for the neighbour */ /* find a neighbour */ /* remove it from the list while shifting remaining neighbours up */ j=0; for(i=0;ineigh_no;i++){ if(nvtx->neigh[i]!=vtx){ nvtx->neigh[j]=nvtx->neigh[i]; j++; } } /* resize memory. potentionally time consuming. */ // fprintf(stderr,"Neigbours=%d\n",nvtx->neigh_no); nvtx->neigh_no--; nvtx->neigh=(ts_vertex **)realloc(nvtx->neigh,nvtx->neigh_no*sizeof(ts_vertex *)); // fprintf(stderr,"Neigbours=%d\n",nvtx->neigh_no); if(nvtx->neigh == NULL && nvtx->neigh_no!=0) fatal("(2) Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); return TS_SUCCESS; } ts_bool vtx_add_bond(ts_bond_list *blist,ts_vertex *vtx1,ts_vertex *vtx2){ ts_bond *bond; bond=bond_add(blist,vtx1,vtx2); if(bond==NULL) return TS_FAIL; vtx1->bond_no++; vtx2->bond_no++; // vtx2->data->bond_no++; vtx1->bond=(ts_bond **)realloc(vtx1->bond, vtx1->bond_no*sizeof(ts_bond *)); vtx2->bond=(ts_bond **)realloc(vtx2->bond, vtx2->bond_no*sizeof(ts_bond *)); // vtx2->data->bond=(ts_bond **)realloc(vtx2->data->bond, vtx2->data->bond_no*sizeof(ts_bond *)); vtx1->bond[vtx1->bond_no-1]=bond; vtx2->bond[vtx2->bond_no-1]=bond; // vtx2->ata->bond[vtx2->data->bond_no-1]=bond; return TS_SUCCESS; } ts_bool vtx_add_cneighbour(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ ts_bool retval; retval=vtx_add_neighbour(vtx1,vtx2); // retval=vtx_add_neighbour(vtx2,vtx1); if(retval==TS_SUCCESS) retval=vtx_add_bond(blist,vtx1,vtx2); return retval; } /*TODO: write and optimize this urgently before use! */ ts_bool vtx_remove_cneighbour(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ // ts_bool retval; /* remove the bond */ //retval=vtx_remove_bond(blist,vtx1,vtx2); /* remove the vertices */ return TS_SUCCESS; } ts_bool vtx_free(ts_vertex *vtx){ if(vtx->neigh!=NULL) free(vtx->neigh); if(vtx->tristar!=NULL) free(vtx->tristar); if(vtx->bond!=NULL) free(vtx->bond); free(vtx); return TS_SUCCESS; } ts_bool vtx_list_free(ts_vertex_list *vlist){ int i; for(i=0;in;i++){ if(vlist->vtx[i]!=NULL) vtx_free(vlist->vtx[i]); } //free(*(vlist->vtx)); free(vlist->vtx); free(vlist); return TS_SUCCESS; } inline ts_double vtx_distance_sq(ts_vertex *vtx1, ts_vertex *vtx2){ ts_double dist; #ifdef TS_DOUBLE_DOUBLE dist=pow(vtx1->x-vtx2->x,2) + pow(vtx1->y-vtx2->y,2) + pow(vtx1->z-vtx2->z,2); #endif #ifdef TS_DOUBLE_LONGDOUBLE dist=powl(vtx1->x-vtx2->x,2) + powl(vtx1->y-vtx2->y,2) + powl(vtx1->z-vtx2->z,2); #endif #ifdef TS_DOUBLE_FLOAT dist=powf(vtx1->x-vtx2->x,2) + powf(vtx1->y-vtx2->y,2) + powf(vtx1->z-vtx2->z,2); #endif return(dist); } ts_bool vtx_set_global_values(ts_vesicle *vesicle){ ts_double xk=vesicle->bending_rigidity; ts_uint i; for(i=0;ivlist->n;i++){ vesicle->vlist->vtx[i]->xk=xk; } return TS_SUCCESS; } inline ts_double vtx_direct(ts_vertex *vtx1, ts_vertex *vtx2, ts_vertex *vtx3){ ts_double dX2=vtx2->x-vtx1->x; ts_double dY2=vtx2->y-vtx1->y; ts_double dZ2=vtx2->z-vtx1->z; ts_double dX3=vtx3->x-vtx1->x; ts_double dY3=vtx3->y-vtx1->y; ts_double dZ3=vtx3->z-vtx1->z; ts_double direct=vtx1->x*(dY2*dZ3 -dZ2*dY3)+ vtx1->y*(dZ2*dX3-dX2*dZ3)+ vtx1->z*(dX2*dY3-dY2*dX3); return(direct); } inline ts_bool vertex_add_tristar(ts_vertex *vtx, ts_triangle *tristarmem){ vtx->tristar_no++; vtx->tristar=(ts_triangle **)realloc(vtx->tristar,vtx->tristar_no*sizeof(ts_triangle *)); if(vtx->tristar==NULL){ fatal("Reallocation of memory while adding tristar failed.",3); } vtx->tristar[vtx->tristar_no-1]=tristarmem; return TS_SUCCESS; } /* Insert neighbour is a function that is required in bondflip. It inserts a * neighbour exactly in the right place. */ inline ts_bool vtx_insert_neighbour(ts_vertex *vtx, ts_vertex *nvtx, ts_vertex *vtxm){ //nvtx is a vertex that is to be inserted after vtxm! ts_uint i,j,midx; vtx->neigh_no++; if(vtxm==NULL || nvtx==NULL || vtx==NULL) fatal("vertex_insert_neighbour: one of pointers has been zero.. Cannot proceed.",3); //We need to reallocate space! The pointer *neight must be zero if not having neighbours jey (if neigh_no was 0 at thime of calling vtx->neigh=realloc(vtx->neigh,vtx->neigh_no*sizeof(ts_vertex *)); if(vtx->neigh == NULL){ fatal("Reallocation of memory failed during insertion of vertex neighbour in vertex_insert_neighbour",3); } midx=0; for(i=0;ineigh_no-1;i++) if(vtx->neigh[i]==vtxm) {midx=i; break;} // fprintf(stderr,"midx=%d, vseh=%d\n",midx,vtx->neigh_no-2); if(midx==vtx->neigh_no-2) { vtx->neigh[vtx->neigh_no-1]=nvtx; } else { for(j=vtx->neigh_no-2;j>midx;j--) { vtx->neigh[j+1]=vtx->neigh[j]; // vtx->bond_length[j+1]=vtx->bond_length[j]; // vtx->bond_length_dual[j+1]=vtx->bond_length_dual[j]; } vtx->neigh[midx+1]=nvtx; } return TS_SUCCESS; } /* vtx remove tristar is required in bondflip. */ /* TODO: Check whether it is important to keep the numbering of tristar * elements in some order or not! */ inline ts_bool vtx_remove_tristar(ts_vertex *vtx, ts_triangle *tristar){ ts_uint i,j=0; for(i=0;itristar_no;i++){ if(vtx->tristar[i]!=tristar){ vtx->tristar[j]=vtx->tristar[i]; j++; } } vtx->tristar_no--; vtx->tristar=realloc(vtx->tristar,vtx->tristar_no*sizeof(ts_triangle *)); if(vtx->neigh == NULL){ fatal("Reallocation of memory failed during insertion of vertex neighbour in vertex_add_neighbour",3); } return TS_SUCCESS; } /* ****************************************************************** */ /* ***** New vertex copy operations. Inherently they are slow. ***** */ /* ****************************************************************** */ ts_bool vtx_copy(ts_vertex *cvtx, ts_vertex *ovtx){ memcpy((void *)cvtx,(void *)ovtx,sizeof(ts_vertex)); cvtx->neigh=NULL; cvtx->neigh_no=0; cvtx->tristar_no=0; cvtx->bond_no=0; cvtx->tristar=NULL; cvtx->bond=NULL; cvtx->cell=NULL; return TS_SUCCESS; } ts_bool vtx_duplicate(ts_vertex *cvtx, ts_vertex *ovtx){ memcpy((void *)cvtx,(void *)ovtx,sizeof(ts_vertex)); return TS_SUCCESS; } //TODO: needs to be done ts_vertex **vtx_neigh_copy(ts_vertex_list *vlist,ts_vertex *ovtx){ return NULL; } ts_vertex_list *vertex_list_copy(ts_vertex_list *ovlist){ ts_uint i; ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list)); vlist=memcpy((void *)vlist, (void *)ovlist, sizeof(ts_vertex_list)); ts_vertex **vtx=(ts_vertex **)malloc(vlist->n*sizeof(ts_vertex *)); vlist->vtx=vtx; if(vlist->vtx==NULL) fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100); for(i=0;in;i++) { vlist->vtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex)); vlist->vtx[i]->idx=i; vtx_copy(vlist->vtx[i],ovlist->vtx[i]); } return vlist; }