| | |
| | | /* vim: set ts=4 sts=4 sw=4 noet : */ |
| | | #include<stdlib.h> |
| | | #include "general.h" |
| | | #include "vertex.h" |
| | |
| | | blist->bond[blist->n - 1]->vtx1=vtx1; |
| | | blist->bond[blist->n - 1]->vtx2=vtx2; |
| | | blist->bond[blist->n - 1]->tainted=0; |
| | | blist->bond[blist->n - 1]->idx=blist->n-1; |
| | | //Should we calculate bond length NOW? |
| | | |
| | | return blist->bond[blist->n-1]; |
| | | } |
| | | |
| | | |
| | | ts_bool bond_vector(ts_bond *bond){ |
| | | |
| | | bond->x = bond->vtx1->x - bond->vtx2->x; |
| | | bond->y = bond->vtx1->y - bond->vtx2->y; |
| | | bond->z = bond->vtx1->z - bond->vtx2->z; |
| | | |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | |
| | | ts_bool bond_get_edge_vector(ts_double *vector, ts_bond *bond, ts_vertex *vtx){ |
| | | if(vtx==bond->vtx2){ |
| | | vector[0]=bond->x; |
| | | vector[1]=bond->y; |
| | | vector[2]=bond->z; |
| | | } else { |
| | | vector[0]=-bond->x; |
| | | vector[1]=-bond->y; |
| | | vector[2]=-bond->z; |
| | | } |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | ts_bool bond_list_free(ts_bond_list *blist){ |
| | | ts_uint i; |
| | | for(i=0;i<blist->n;i++){ |