From 88f45143117f3ae973be6e3ea5dac8063a7b8ece Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@amalthea>
Date: Sat, 19 Mar 2011 18:35:08 +0000
Subject: [PATCH] Added spherical harmonics routine.I've got a feeling that some harmonics are not calculated correctly!
---
src/vertex.c | 26 ++++++++++++++++++++------
1 files changed, 20 insertions(+), 6 deletions(-)
diff --git a/src/vertex.c b/src/vertex.c
index 92c5032..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;
}
@@ -232,11 +236,21 @@
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));
--
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