| | |
| | | #include<stdlib.h> |
| | | #include "general.h" |
| | | #include<stdio.h> |
| | | #include "vertex.h" |
| | | |
| | | ts_bool init_bond_list(ts_bond_list *blist){ |
| | | 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 TS_SUCCESS; |
| | | return blist; |
| | | } |
| | | |
| | | ts_bool bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ |
| | | 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;i<blist->n;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=realloc(blist->bond,blist->n*sizeof(ts_bond)); |
| | | if(blist->bond==NULL) fatal("Cannot reallocate memory for additional *ts_bond.",5); |
| | | //NOW insert vertices! |
| | | blist->bond[blist->n - 1].vtx1=vtx1; |
| | | blist->bond[blist->n - 1].vtx2=vtx2; |
| | | 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; |
| | | ts_uint i1=0,i2=0,i3=0,im=0; |
| | | ts_triangle *ttria; |
| | | for(i=0,k=0;i<vtx1->tristar_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; |
| | | |
| | | //We will sort the triangles so, they are oriented as km and kp for bondflip |
| | | for(i=0;i<3;i++){ |
| | | if(bond->tria[0]->vertex[i]==vtx1){ |
| | | i1=i; |
| | | } |
| | | else if(bond->tria[0]->vertex[i]==vtx2){ |
| | | i2=i; |
| | | } |
| | | else i3=i; |
| | | } |
| | | |
| | | if(i1>i2 || (i1==0 && i2==2)){ |
| | | //pozitivna orientacija! |
| | | ttria=bond->tria[0]; |
| | | bond->tria[0]=bond->tria[1]; |
| | | bond->tria[1]=ttria; |
| | | bond->adjvtx[1]=bond->tria[0]->vertex[i3]; |
| | | im=0; |
| | | } |
| | | else{ |
| | | bond->adjvtx[0]=bond->tria[0]->vertex[i3]; |
| | | im=1; |
| | | } |
| | | |
| | | for(i=0;i<3;i++){ |
| | | if(bond->tria[1]->vertex[i]==vtx1){ |
| | | i1=i; |
| | | } |
| | | else if(bond->tria[1]->vertex[i]==vtx2){ |
| | | i2=i; |
| | | } |
| | | else i3=i; |
| | | } |
| | | bond->adjvtx[im]=bond->tria[1]->vertex[i3]; |
| | | #ifdef DEBUG |
| | | if(bond->adjvtx[0]==NULL) fatal("AdjVTX[0] is NULL",1); |
| | | if(bond->adjvtx[1]==NULL) fatal("AdjVTX[1] is NULL",1); |
| | | #endif |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | ts_bool bond_list_free(ts_bond_list *blist){ |
| | | ts_uint i; |
| | | for(i=0;i<blist->n;i++){ |
| | | free(blist->bond[i]); |
| | | } |
| | | free(blist->bond); |
| | | free(blist); |
| | | return TS_SUCCESS; |
| | | } |