From 8ed8fdb663089e2bc53fd537611a6b45a09cc502 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 30 Nov 2013 16:54:34 +0000 Subject: [PATCH] Seems to solve everything until bondflip --- src/vertex.c | 156 ++++++++++++++------------------------------------- 1 files changed, 43 insertions(+), 113 deletions(-) diff --git a/src/vertex.c b/src/vertex.c index f1ae60b..871fe29 100644 --- a/src/vertex.c +++ b/src/vertex.c @@ -8,12 +8,11 @@ ts_vertex_list *init_vertex_list(ts_uint N){ ts_int i; - ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list)); - + ts_vertex_list *vlist=(ts_vertex_list *)calloc(1,sizeof(ts_vertex_list)); + if(N==0){ - err("Initialized vertex list with zero elements. Pointer set to NULL"); - vlist->n=0; - vlist->vtx=NULL; + vlist->n=0; + vlist->vtx=(ts_vertex **)calloc(1,sizeof(ts_vertex *)); /*Allocate one memory space for vlist anyway */ return vlist; } @@ -23,19 +22,11 @@ for(i=0;i<N;i++) { vlist->vtx[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;i<l;i++){ - vlist->vtx[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->vtx[i]->neigh=init_vertex_list(0); + /* initialize Ylm for spherical hamonics DONE in sh.c */ + } vlist->n=N; + vlist->list_size=TS_VLIST_CHUNK; //TODO: can be buggy in some cases, when N>0 and we want to delete some vertices. return vlist; } @@ -43,7 +34,12 @@ ts_bool vertex_list_add_vtx(ts_vertex_list *vlist, ts_vertex *vtx){ #ifdef DEBUG - if(vtx==NULL || vlist==NULL) return TS_FAIL; + if(vtx==NULL) + err("VTX is null"); + if(vlist==NULL) err("VLIST is null"); + + 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*)); @@ -52,7 +48,8 @@ } vlist->list_size+=TS_VLIST_CHUNK; } - vlist->vtx[n]=vtx; +// printf("Test %u (max %u)!\n", vlist->n, vlist->list_size); + vlist->vtx[vlist->n]=vtx; vlist->n++; return TS_SUCCESS; } @@ -65,9 +62,10 @@ #ifdef DEBUG if(vtx==NULL || vlist==NULL) return TS_FAIL; #endif + ts_uint i; for(i=0; i<vlist->n;i++){ if(vlist->vtx[i]==vtx){ - vlist->vtx[i]=vlist->vtx[n-1]; + vlist->vtx[i]=vlist->vtx[vlist->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*)); @@ -80,63 +78,6 @@ } } 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; i<vtx->neigh->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;i<vtx->neigh_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;i<nvtx->neigh_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; } @@ -158,12 +99,28 @@ return TS_SUCCESS; } + +ts_bool vtx_add_neighbour(ts_vertex *vtx1, ts_vertex *vtx2){ + ts_uint i; + if(vtx1==NULL || vtx2==NULL) return TS_FAIL; + for(i=0;i<vtx1->neigh->n;i++){ + if (vtx1->neigh->vtx[i]==vtx2){ + return TS_FAIL; + } + } + vertex_list_add_vtx(vtx1->neigh, vtx2); + 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); + retval=vtx_add_neighbour(vtx1, vtx2); +// retval=vertex_list_add_vtx(vtx1->neigh, vtx2); +// retval=vertex_list_add_vtx(vtx2->neigh, vtx1); + if(retval==TS_SUCCESS){ + // fprintf(stderr,"Bond added\n"); + retval=vtx_add_bond(blist,vtx1,vtx2); + } return retval; } @@ -179,7 +136,10 @@ ts_bool vtx_free(ts_vertex *vtx){ - if(vtx->neigh!=NULL) free(vtx->neigh); + if(vtx->neigh!=NULL) { + if (vtx->neigh->vtx!=NULL) free(vtx->neigh->vtx); + free(vtx->neigh); + } if(vtx->tristar!=NULL) free(vtx->tristar); if(vtx->bond!=NULL) free(vtx->bond); free(vtx); @@ -247,35 +207,6 @@ } -/* 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;i<vtx->neigh_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 @@ -304,8 +235,7 @@ 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->neigh=init_vertex_list(0); cvtx->tristar_no=0; cvtx->bond_no=0; cvtx->tristar=NULL; -- Gitblit v1.9.3