From af3bad5b0ffbe0f19b0f85519c85a385326dec03 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@amalthea>
Date: Sat, 19 Mar 2011 21:10:19 +0000
Subject: [PATCH] Spherical harmonics should be ok. Note, that there are some difference from proposed theoretical scheme. Is Miha's theory wrong?
---
src/vertex.c | 68 ++++++++++++++++++++++++++++++---
1 files changed, 61 insertions(+), 7 deletions(-)
diff --git a/src/vertex.c b/src/vertex.c
index 379d43e..b5f8519 100644
--- a/src/vertex.c
+++ b/src/vertex.c
@@ -52,16 +52,19 @@
ts_uint nn=++vtx->data->neigh_no;
vtx->data->neigh=(ts_vertex **)realloc(vtx->data->neigh, nn*sizeof(ts_vertex *));
vtx->data->neigh[nn-1]=nvtx;
-
+/* This was a bug in creating DIPYRAMID (the neighbours were not in right
+ * order).
+ */
/* pa se sosedu dodamo vertex */
/*if it is already a neighbour don't add it to the list */
+/*
for(i=0; i<nvtx->data->neigh_no;i++){
if(nvtx->data->neigh[i]==vtx) return TS_FAIL;
}
nn=++nvtx->data->neigh_no;
nvtx->data->neigh=(ts_vertex **)realloc(nvtx->data->neigh, nn*sizeof(ts_vertex *));
nvtx->data->neigh[nn-1]=vtx;
-
+*/
return TS_SUCCESS;
}
@@ -108,12 +111,12 @@
bond=bond_add(blist,vtx1,vtx2);
if(bond==NULL) return TS_FAIL;
vtx1->data->bond_no++;
- vtx2->data->bond_no++;
+ // vtx2->data->bond_no++;
vtx1->data->bond=(ts_bond **)realloc(vtx1->data->bond, vtx1->data->bond_no*sizeof(ts_bond *));
- vtx2->data->bond=(ts_bond **)realloc(vtx2->data->bond, vtx2->data->bond_no*sizeof(ts_bond *));
+ // vtx2->data->bond=(ts_bond **)realloc(vtx2->data->bond, vtx2->data->bond_no*sizeof(ts_bond *));
vtx1->data->bond[vtx1->data->bond_no-1]=bond;
- vtx2->data->bond[vtx2->data->bond_no-1]=bond;
+ // vtx2->data->bond[vtx2->data->bond_no-1]=bond;
return TS_SUCCESS;
}
@@ -141,7 +144,8 @@
if(data->neigh!=NULL) free(data->neigh);
if(data->tristar!=NULL) free(data->tristar);
if(data->bond!=NULL) free(data->bond);
- if(data->cell!=NULL) free(data->cell);
+//Cells are freed separately.
+ // if(data->cell!=NULL) free(data->cell);
free(data);
return TS_SUCCESS;
}
@@ -156,7 +160,7 @@
ts_bool vtx_list_free(ts_vertex_list *vlist){
int i;
for(i=0;i<vlist->n;i++){
- vtx_data_free(vlist->vtx[i]->data);
+ if(vlist->vtx[i]->data!=NULL) vtx_data_free(vlist->vtx[i]->data);
}
free(*(vlist->vtx));
free(vlist->vtx);
@@ -214,3 +218,53 @@
return TS_SUCCESS;
}
+
+/* ****************************************************************** */
+/* ***** New vertex copy operations. Inherently they are slow. ***** */
+/* ****************************************************************** */
+
+ts_bool vtx_copy(ts_vertex *cvtx, ts_vertex *ovtx){
+ memcpy((void *)cvtx,(void *)ovtx,sizeof(ts_vertex));
+ cvtx->data=(ts_vertex_data *)malloc(sizeof(ts_vertex_data));
+ memcpy((void *)cvtx->data,(void *)ovtx->data,sizeof(ts_vertex_data));
+ cvtx->data->neigh=NULL;
+ cvtx->data->neigh_no=0;
+ cvtx->data->tristar_no=0;
+ cvtx->data->bond_no=0;
+ cvtx->data->tristar=NULL;
+ cvtx->data->bond=NULL;
+ cvtx->data->cell=NULL;
+ return TS_SUCCESS;
+}
+
+ts_bool vtx_duplicate(ts_vertex *cvtx, ts_vertex *ovtx){
+ memcpy((void *)cvtx,(void *)ovtx,sizeof(ts_vertex));
+ cvtx->data=(ts_vertex_data *)malloc(sizeof(ts_vertex_data));
+ memcpy((void *)cvtx->data,(void *)ovtx->data,sizeof(ts_vertex_data));
+ return TS_SUCCESS;
+}
+
+//TODO: needs to be done
+ts_vertex **vtx_neigh_copy(ts_vertex_list *vlist,ts_vertex *ovtx){
+ return NULL;
+}
+
+
+
+ts_vertex_list *vertex_list_copy(ts_vertex_list *ovlist){
+ ts_uint i;
+ ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list));
+ vlist=memcpy((void *)vlist, (void *)ovlist, sizeof(ts_vertex_list));
+ ts_vertex **vtx=(ts_vertex **)malloc(vlist->n*sizeof(ts_vertex *));
+ ts_vertex *tlist=(ts_vertex *)calloc(vlist->n,sizeof(ts_vertex));
+ vlist->vtx=vtx;
+ if(vlist->vtx==NULL || tlist==NULL)
+ fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100);
+ for(i=0;i<vlist->n;i++) {
+ vlist->vtx[i]=&tlist[i];
+ vlist->vtx[i]->idx=i;
+ vtx_copy(vlist->vtx[i],ovlist->vtx[i]);
+ }
+
+ return vlist;
+}
--
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