#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 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_no;i++){ if(vtx->neigh[i]==nvtx) return TS_FAIL; } ts_uint nn=++vtx->neigh_no; vtx->neigh=(ts_vertex **)realloc(vtx->neigh, nn*sizeof(ts_vertex *)); vtx->neigh[nn-1]=nvtx; /* This was a bug in creating DIPYRAMID (the neighbours were not in right * order). */ /* pa se sosedu dodamo vertex */ /*if it is already a neighbour don't add it to the list */ /* for(i=0; idata->neigh_no;i++){ if(nvtx->data->neigh[i]==vtx) return TS_FAIL; } nn=++nvtx->data->neigh_no; nvtx->data->neigh=(ts_vertex **)realloc(nvtx->data->neigh, nn*sizeof(ts_vertex *)); nvtx->data->neigh[nn-1]=vtx; */ 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_int i,j=-1; for(i=0;ineigh_no;i++){ if(vtx->neigh[i]!=nvtx){ vtx->neigh[j]=vtx->neigh[i]; j++; } } if(j==0) { fatal("vtx_remove_neighbour: Error, vertices are not neighbours", 100); } /* 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("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 */ for(i=0;ineigh_no;i++){ if(nvtx->neigh[i]!=vtx){ nvtx->neigh[j]=nvtx->neigh[i]; j++; } } /* resize memory. potentionally time consuming. */ nvtx->neigh_no--; nvtx->neigh=(ts_vertex **)realloc(nvtx->neigh,nvtx->neigh_no*sizeof(ts_vertex *)); if(nvtx->neigh == NULL && nvtx->neigh_no!=0) fatal("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); 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; }