| 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++){ |
| 18 | if((blist->bond[i]->data->vtx1==vtx1 || blist->bond[i]->data->vtx1==vtx2) | |
| 19 | &&(blist->bond[i]->data->vtx2==vtx1 || blist->bond[i]->data->vtx2==vtx2)) | |
| 20 | return blist->bond[i]; | |
| 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 | blist->bond[blist->n-1]->data=(ts_bond_data *)malloc(sizeof(ts_bond_data)); | |
| 28 | ||
| 29 | //NOW insert vertices into data! | |
| 30 | blist->bond[blist->n - 1]->data->vtx1=vtx1; | |
| 31 | blist->bond[blist->n - 1]->data->vtx2=vtx2; | |
| 32 | ||
| 33 | //Should we calculate bond length NOW? | |
| 34 | ||
| 35 | return blist->bond[blist->n-1]; | |
| d7639a | 36 | } |
| SP | 37 | |
| 38 | ts_bool bond_list_free(ts_bond_list *blist){ | |
| a10dd5 | 39 | ts_uint i; |
| SP | 40 | for(i=0;i<blist->n;i++){ |
| 41 | free(blist->bond[i]->data); | |
| 42 | free(blist->bond[i]); | |
| 43 | } | |
| d7639a | 44 | free(blist->bond); |
| a10dd5 | 45 | free(blist); |
| d7639a | 46 | return TS_SUCCESS; |
| SP | 47 | } |
