From d33abe246221255be91bacda79f5852b8c4ed8fd Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 08 Dec 2013 17:47:21 +0000
Subject: [PATCH] Triangles are ordered in the bond now. Also kp and km are found as adjvtx. They are also ordered.
---
src/vertex.c | 42 ++++++++++++++++++++++++++++++++----------
1 files changed, 32 insertions(+), 10 deletions(-)
diff --git a/src/vertex.c b/src/vertex.c
index efe3cae..023e6fc 100644
--- a/src/vertex.c
+++ b/src/vertex.c
@@ -22,17 +22,20 @@
for(i=0;i<N;i++) {
vlist->vtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex));
vlist->vtx[i]->idx=i;
+ vlist->vtx[i]->neigh=init_vertex_list(0);
/* initialize Ylm for spherical hamonics DONE in sh.c */
}
vlist->n=N;
- return vlist;
+ vlist->list_size=TS_VLIST_CHUNK; //TODO: can be buggy in some cases, when N>0 and we want to delete some vertices.
+ return vlist;
}
ts_bool vertex_list_add_vtx(ts_vertex_list *vlist, ts_vertex *vtx){
#ifdef DEBUG
- if(vtx==NULL || vlist==NULL) return TS_FAIL;
+ if(vtx==NULL || vlist==NULL)
+ return TS_FAIL;
#endif
if(vlist->list_size < vlist->n+1){
vlist->vtx=(ts_vertex **)realloc(vlist->vtx, (vlist->list_size+TS_VLIST_CHUNK)*sizeof(ts_vertex*));
@@ -91,13 +94,29 @@
return TS_SUCCESS;
}
-ts_bool vtx_add_cneighbour(ts_bond_list *blist, ts_vertex_list *vlist, ts_vertex *vtx1, ts_vertex *vtx2){
- ts_bool retval;
- retval=vertex_list_add_vtx(vtx1->neigh, vtx2);
- retval=vertex_list_add_vtx(vtx2->neigh, vtx1);
- if(retval==TS_SUCCESS)
- retval=vtx_add_bond(blist,vtx1,vtx2);
+// Add neighbour just in one direction (add vtx2 as a neigh of vtx1 and not another way around!
+ts_bool vtx_add_neighbour(ts_vertex *vtx1, ts_vertex *vtx2){
+ ts_uint i;
+ if(vtx1==NULL || vtx2==NULL) return TS_FAIL;
+ for(i=0;i<vtx1->neigh->n;i++){
+ if (vtx1->neigh->vtx[i]==vtx2){
+ return TS_FAIL;
+ }
+ }
+ vertex_list_add_vtx(vtx1->neigh, vtx2);
+ return TS_SUCCESS;
+}
+
+ts_bool vtx_add_cneighbour(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){
+ ts_bool retval;
+ retval=vtx_add_neighbour(vtx1, vtx2);
+// retval=vertex_list_add_vtx(vtx1->neigh, vtx2);
+// retval=vertex_list_add_vtx(vtx2->neigh, vtx1);
+ if(retval==TS_SUCCESS){
+ // fprintf(stderr,"Bond added\n");
+ retval=vtx_add_bond(blist,vtx1,vtx2);
+ }
return retval;
}
@@ -113,7 +132,10 @@
ts_bool vtx_free(ts_vertex *vtx){
- if(vtx->neigh!=NULL) free(vtx->neigh);
+ if(vtx->neigh!=NULL) {
+ if (vtx->neigh->vtx!=NULL) free(vtx->neigh->vtx);
+ free(vtx->neigh);
+ }
if(vtx->tristar!=NULL) free(vtx->tristar);
if(vtx->bond!=NULL) free(vtx->bond);
free(vtx);
@@ -209,7 +231,7 @@
ts_bool vtx_copy(ts_vertex *cvtx, ts_vertex *ovtx){
memcpy((void *)cvtx,(void *)ovtx,sizeof(ts_vertex));
- cvtx->neigh=NULL;
+ cvtx->neigh=init_vertex_list(0);
cvtx->tristar_no=0;
cvtx->bond_no=0;
cvtx->tristar=NULL;
--
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