| commit | author | age | ||
| d7639a | 1 | #include<stdlib.h> |
| SP | 2 | #include "general.h" |
| a10dd5 | 3 | #include "vertex.h" |
| d7639a | 4 | |
| a10dd5 | 5 | ts_bond_list *init_bond_list(){ |
| SP | 6 | ts_bond_list *blist=(ts_bond_list *)malloc(sizeof(ts_bond_list)); |
| d7639a | 7 | blist->n=0; |
| SP | 8 | blist->bond=NULL; |
| a10dd5 | 9 | return blist; |
| d7639a | 10 | } |
| SP | 11 | |
| a10dd5 | 12 | ts_bond *bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ |
| b01cc1 | 13 | ts_uint i; |
| a10dd5 | 14 | /* no vertices must be null! */ |
| SP | 15 | if(vtx1==NULL || vtx2==NULL) return NULL; |
| b01cc1 | 16 | /* Verify if the bond already exists... Don't do multiple bonds */ |
| SP | 17 | for(i=0;i<blist->n;i++){ |
| e016c4 | 18 | if((blist->bond[i]->vtx1==vtx1 || blist->bond[i]->vtx1==vtx2) |
| SP | 19 | &&(blist->bond[i]->vtx2==vtx1 || blist->bond[i]->vtx2==vtx2)) |
| b01cc1 | 20 | return blist->bond[i]; |
| SP | 21 | } |
| d7639a | 22 | blist->n++; |
| a10dd5 | 23 | blist->bond=(ts_bond **)realloc(blist->bond,blist->n*sizeof(ts_bond *)); |
| SP | 24 | if(blist->bond==NULL) fatal("Cannot reallocate memory for additional **ts_bond.",100); |
| 25 | blist->bond[blist->n-1]=(ts_bond *)malloc(sizeof(ts_bond)); | |
| 26 | if(blist->bond[blist->n-1]==NULL) fatal("Cannot allocate memory for additional *ts_bond.",100); | |
| 27 | ||
| 28 | //NOW insert vertices into data! | |
| e016c4 | 29 | blist->bond[blist->n - 1]->vtx1=vtx1; |
| SP | 30 | blist->bond[blist->n - 1]->vtx2=vtx2; |
| a63f17 | 31 | blist->bond[blist->n - 1]->tainted=0; |
| a10dd5 | 32 | //Should we calculate bond length NOW? |
| d335d9 | 33 | |
| SP | 34 | |
| 35 | ||
| a10dd5 | 36 | |
| SP | 37 | return blist->bond[blist->n-1]; |
| d7639a | 38 | } |
| SP | 39 | |
| d335d9 | 40 | |
| SP | 41 | /* Two triangles are assigned to the bond. Bond must already be initialized. */ |
| 42 | ts_bool bond_assign_triangles(ts_bond *bond){ | |
| 43 | ts_vertex *vtx1=bond->vtx1, *vtx2=bond->vtx2; | |
| 44 | ts_uint i,j,k; | |
| 45 | ||
| 46 | for(i=0,k=0;i<vtx1->tristar_no;i++){ | |
| 47 | for(j=0;j<3;j++){ | |
| 48 | if(vtx1->tristar[i]->vertex[j]==vtx2){ | |
| 49 | //triangle found; | |
| 50 | bond->tria[k]=vtx1->tristar[i]; | |
| 51 | k++; | |
| 52 | } | |
| 53 | } | |
| 54 | } | |
| 55 | if(k<2) return TS_FAIL; | |
| 56 | else return TS_SUCCESS; | |
| 57 | } | |
| 58 | ||
| d7639a | 59 | ts_bool bond_list_free(ts_bond_list *blist){ |
| a10dd5 | 60 | ts_uint i; |
| SP | 61 | for(i=0;i<blist->n;i++){ |
| 62 | free(blist->bond[i]); | |
| 63 | } | |
| d7639a | 64 | free(blist->bond); |
| a10dd5 | 65 | free(blist); |
| d7639a | 66 | return TS_SUCCESS; |
| SP | 67 | } |
