#include #include "general.h" #include "vertex.h" ts_bond_list *init_bond_list(){ ts_bond_list *blist=(ts_bond_list *)malloc(sizeof(ts_bond_list)); blist->n=0; blist->bond=NULL; return blist; } ts_bond *bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ ts_uint i; /* no vertices must be null! */ if(vtx1==NULL || vtx2==NULL) return NULL; /* Verify if the bond already exists... Don't do multiple bonds */ for(i=0;in;i++){ if((blist->bond[i]->vtx1==vtx1 || blist->bond[i]->vtx1==vtx2) &&(blist->bond[i]->vtx2==vtx1 || blist->bond[i]->vtx2==vtx2)) return blist->bond[i]; } blist->n++; blist->bond=(ts_bond **)realloc(blist->bond,blist->n*sizeof(ts_bond *)); if(blist->bond==NULL) fatal("Cannot reallocate memory for additional **ts_bond.",100); blist->bond[blist->n-1]=(ts_bond *)malloc(sizeof(ts_bond)); if(blist->bond[blist->n-1]==NULL) fatal("Cannot allocate memory for additional *ts_bond.",100); //NOW insert vertices into data! blist->bond[blist->n - 1]->vtx1=vtx1; blist->bond[blist->n - 1]->vtx2=vtx2; blist->bond[blist->n - 1]->tainted=0; //Should we calculate bond length NOW? return blist->bond[blist->n-1]; } /* Two triangles are assigned to the bond. Bond must already be initialized. */ ts_bool bond_assign_triangles(ts_bond *bond){ ts_vertex *vtx1=bond->vtx1, *vtx2=bond->vtx2; ts_uint i,j,k; for(i=0,k=0;itristar_no;i++){ for(j=0;j<3;j++){ if(vtx1->tristar[i]->vertex[j]==vtx2){ //triangle found; bond->tria[k]=vtx1->tristar[i]; k++; } } } if(k<2) return TS_FAIL; else return TS_SUCCESS; } ts_bool bond_list_free(ts_bond_list *blist){ ts_uint i; for(i=0;in;i++){ free(blist->bond[i]); } free(blist->bond); free(blist); return TS_SUCCESS; }