| 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; | |
| d33abe | 45 | ts_uint i1=0,i2=0,i3=0,im=0; |
| SP | 46 | ts_triangle *ttria; |
| d335d9 | 47 | for(i=0,k=0;i<vtx1->tristar_no;i++){ |
| SP | 48 | for(j=0;j<3;j++){ |
| 49 | if(vtx1->tristar[i]->vertex[j]==vtx2){ | |
| 50 | //triangle found; | |
| 51 | bond->tria[k]=vtx1->tristar[i]; | |
| 52 | k++; | |
| 53 | } | |
| 54 | } | |
| 55 | } | |
| 56 | if(k<2) return TS_FAIL; | |
| d33abe | 57 | |
| SP | 58 | //We will sort the triangles so, they are oriented as km and kp for bondflip |
| 59 | for(i=0;i<3;i++){ | |
| 60 | if(bond->tria[0]->vertex[i]==vtx1){ | |
| 61 | i1=i; | |
| 62 | } | |
| 63 | else if(bond->tria[0]->vertex[i]==vtx2){ | |
| 64 | i2=i; | |
| 65 | } | |
| 66 | else i3=i; | |
| 67 | } | |
| 68 | ||
| 69 | if(i1>i2 || (i1==0 && i2==2)){ | |
| 70 | //pozitivna orientacija! | |
| 71 | ttria=bond->tria[0]; | |
| 72 | bond->tria[0]=bond->tria[1]; | |
| 73 | bond->tria[1]=ttria; | |
| 74 | bond->adjvtx[1]=bond->tria[0]->vertex[i3]; | |
| 75 | im=0; | |
| 76 | } | |
| 77 | else{ | |
| 78 | bond->adjvtx[0]=bond->tria[0]->vertex[i3]; | |
| 79 | im=1; | |
| 80 | } | |
| 81 | ||
| 82 | for(i=0;i<3;i++){ | |
| 83 | if(bond->tria[1]->vertex[i]==vtx1){ | |
| 84 | i1=i; | |
| 85 | } | |
| 86 | else if(bond->tria[1]->vertex[i]==vtx2){ | |
| 87 | i2=i; | |
| 88 | } | |
| 89 | else i3=i; | |
| 90 | } | |
| 91 | bond->adjvtx[im]=bond->tria[1]->vertex[i3]; | |
| d06a94 | 92 | #ifdef DEBUG |
| SP | 93 | if(bond->adjvtx[0]==NULL) fatal("AdjVTX[0] is NULL",1); |
| 94 | if(bond->adjvtx[1]==NULL) fatal("AdjVTX[1] is NULL",1); | |
| 95 | #endif | |
| d33abe | 96 | return TS_SUCCESS; |
| d335d9 | 97 | } |
| SP | 98 | |
| d7639a | 99 | ts_bool bond_list_free(ts_bond_list *blist){ |
| a10dd5 | 100 | ts_uint i; |
| SP | 101 | for(i=0;i<blist->n;i++){ |
| 102 | free(blist->bond[i]); | |
| 103 | } | |
| d7639a | 104 | free(blist->bond); |
| a10dd5 | 105 | free(blist); |
| d7639a | 106 | return TS_SUCCESS; |
| SP | 107 | } |
