From 142a67fe82b830e5c7816914afa62445959c87ca Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 05 Nov 2013 14:04:21 +0000
Subject: [PATCH] changes in bondflip call. No need to bondflip all the bonds, but only as many bonds as there are vertices. Also, rnvec seems to be not needed for bondflip, so it is commented out
---
src/triangle.c | 110 +++++++++++++++++++++++++-----------------------------
1 files changed, 51 insertions(+), 59 deletions(-)
diff --git a/src/triangle.c b/src/triangle.c
index a41f3b5..dc53487 100644
--- a/src/triangle.c
+++ b/src/triangle.c
@@ -57,13 +57,13 @@
tlist->tria[tlist->n-1]=(ts_triangle *)calloc(1,sizeof(ts_triangle));
if(tlist->tria[tlist->n-1]==NULL) fatal("Cannot reallocate memory for additional ts_triangle.",5);
- tlist->tria[tlist->n-1]->data=(ts_triangle_data *)calloc(1,sizeof(ts_triangle_data));
+ // tlist->tria[tlist->n-1]->data=(ts_triangle_data *)calloc(1,sizeof(ts_triangle_data));
//NOW insert vertices!
tlist->tria[tlist->n - 1]->idx=tlist->n-1;
- tlist->tria[tlist->n - 1]->data->vertex[0]=vtx1;
- tlist->tria[tlist->n - 1]->data->vertex[1]=vtx2;
- tlist->tria[tlist->n - 1]->data->vertex[2]=vtx3;
+ tlist->tria[tlist->n - 1]->vertex[0]=vtx1;
+ tlist->tria[tlist->n - 1]->vertex[1]=vtx2;
+ tlist->tria[tlist->n - 1]->vertex[2]=vtx3;
return tlist->tria[tlist->n-1];
}
@@ -94,11 +94,11 @@
if(tria==NULL || ntria==NULL) return TS_FAIL;
/*TODO: check if the neighbour already exists! Now there is no such check
* because of the performance issue. */
- tria->data->neigh_no++;
- tria->data->neigh=realloc(tria->data->neigh,tria->data->neigh_no*sizeof(ts_triangle *));
- if(tria->data->neigh == NULL)
+ tria->neigh_no++;
+ tria->neigh=realloc(tria->neigh,tria->neigh_no*sizeof(ts_triangle *));
+ if(tria->neigh == NULL)
fatal("Reallocation of memory failed during insertion of triangle neighbour in triangle_add_neighbour",3);
- tria->data->neigh[tria->data->neigh_no-1]=ntria;
+ tria->neigh[tria->neigh_no-1]=ntria;
/* we repeat the procedure for the neighbour */
@@ -136,9 +136,9 @@
ts_uint i,j=0;
if(tria==NULL || ntria==NULL) return TS_FAIL;
- for(i=0;i<tria->data->neigh_no;i++){
- if(tria->data->neigh[i]!=ntria){
- tria->data->neigh[j]=tria->data->neigh[i];
+ for(i=0;i<tria->neigh_no;i++){
+ if(tria->neigh[i]!=ntria){
+ tria->neigh[j]=tria->neigh[i];
j++;
}
}
@@ -146,15 +146,17 @@
return TS_FAIL;
//fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3);
}
- tria->data->neigh_no--;
- tria->data->neigh=(ts_triangle **)realloc(tria->data->neigh,tria->data->neigh_no*sizeof(ts_triangle *));
- if(tria->data->neigh == NULL){
+ tria->neigh_no--;
+// fprintf(stderr,"*** tria_number=%d\n",tria->neigh_no);
+ tria->neigh=(ts_triangle **)realloc(tria->neigh,tria->neigh_no*sizeof(ts_triangle *));
+ if(tria->neigh == NULL){
fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100);
}
/* we repeat the procedure for neighbour */
- for(i=0;i<ntria->data->neigh_no;i++){
- if(ntria->data->neigh[i]!=tria){
- ntria->data->neigh[j]=ntria->data->neigh[i];
+ j=0;
+ for(i=0;i<ntria->neigh_no;i++){
+ if(ntria->neigh[i]!=tria){
+ ntria->neigh[j]=ntria->neigh[i];
j++;
}
}
@@ -162,9 +164,10 @@
return TS_FAIL;
//fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3);
}
- ntria->data->neigh_no--;
- ntria->data->neigh=(ts_triangle **)realloc(ntria->data->neigh,ntria->data->neigh_no*sizeof(ts_triangle *));
- if(ntria->data->neigh == NULL){
+ ntria->neigh_no--;
+// fprintf(stderr,"*** ntria_number=%d\n",ntria->neigh_no);
+ ntria->neigh=(ts_triangle **)realloc(ntria->neigh,ntria->neigh_no*sizeof(ts_triangle *));
+ if(ntria->neigh == NULL){
fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100);
}
return TS_SUCCESS;
@@ -194,19 +197,19 @@
*/
ts_bool triangle_normal_vector(ts_triangle *tria){
ts_double x21,x31,y21,y31,z21,z31,xden;
- x21=tria->data->vertex[1]->data->x - tria->data->vertex[0]->data->x;
- x31=tria->data->vertex[2]->data->x - tria->data->vertex[0]->data->x;
- y21=tria->data->vertex[1]->data->y - tria->data->vertex[0]->data->y;
- y31=tria->data->vertex[2]->data->y - tria->data->vertex[0]->data->y;
- z21=tria->data->vertex[1]->data->z - tria->data->vertex[0]->data->z;
- z31=tria->data->vertex[2]->data->z - tria->data->vertex[0]->data->z;
+ x21=tria->vertex[1]->x - tria->vertex[0]->x;
+ x31=tria->vertex[2]->x - tria->vertex[0]->x;
+ y21=tria->vertex[1]->y - tria->vertex[0]->y;
+ y31=tria->vertex[2]->y - tria->vertex[0]->y;
+ z21=tria->vertex[1]->z - tria->vertex[0]->z;
+ z31=tria->vertex[2]->z - tria->vertex[0]->z;
- tria->data->xnorm=y21*z31 - z21*y31;
- tria->data->ynorm=z21*x31 - x21*z31;
- tria->data->znorm=x21*y31 - y21*x31;
- xden=tria->data->xnorm*tria->data->xnorm +
- tria->data->ynorm*tria->data->ynorm +
- tria->data->znorm*tria->data->znorm;
+ tria->xnorm=y21*z31 - z21*y31;
+ tria->ynorm=z21*x31 - x21*z31;
+ tria->znorm=x21*y31 - y21*x31;
+ xden=tria->xnorm*tria->xnorm +
+ tria->ynorm*tria->ynorm +
+ tria->znorm*tria->znorm;
#ifdef TS_DOUBLE_DOUBLE
xden=sqrt(xden);
#endif
@@ -216,9 +219,21 @@
#ifdef TS_DOUBLE_LONGDOUBLE
xden=sqrtl(xden);
#endif
- tria->data->xnorm=tria->data->xnorm/xden;
- tria->data->ynorm=tria->data->ynorm/xden;
- tria->data->znorm=tria->data->znorm/xden;
+ tria->xnorm=tria->xnorm/xden;
+ tria->ynorm=tria->ynorm/xden;
+ tria->znorm=tria->znorm/xden;
+
+/* Here it is an excellent point to recalculate volume of the triangle and
+ * store it into datastructure. Volume is required at least by constant volume
+ * calculation of vertex move and bondflip and spherical harmonics. */
+ tria->volume=(tria->vertex[0]->x+ tria->vertex[1]->x + tria->vertex[2]->x) * tria->xnorm +
+ (tria->vertex[0]->y+ tria->vertex[1]->y + tria->vertex[2]->y) * tria->ynorm +
+ (tria->vertex[0]->z+ tria->vertex[1]->z + tria->vertex[2]->z) * tria->znorm;
+ tria->volume=-xden*tria->volume/18.0;
+/* Also, area can be calculated in each triangle */
+ tria->area=xden/2;
+
+
return TS_SUCCESS;
}
@@ -226,29 +241,6 @@
-/** @brief Frees the memory allocated for data structure of triangle data
- * (ts_triangle_data)
- *
- * Function frees the memory of ts_triangle_data previously allocated. It
- * accepts one argument, the address of data structure. It destroys all
- * pointers the structure might have (currently only neigh -- the pointer to
- * list of neighbouring triangles) and data structure itself. The return value
- * is always TS_SUCCESS.
- *
- * WARNING: The function doesn't check whether the pointer is NULL or invalid. It is the
- * job of programmer to make sure the pointer is valid.
- *
- * Example of usage:
- * triangle_data_free(tlist->tria[3]->data);
- *
- * Clears the data structure with all pointers.
- *
- */
-ts_bool triangle_data_free(ts_triangle_data *data){
- if(data->neigh!=NULL) free(data->neigh);
- free(data);
- return TS_SUCCESS;
-}
/** @brief Frees the memory allocated for data structure of triangle list
* (ts_triangle_list)
@@ -277,7 +269,7 @@
ts_bool triangle_list_free(ts_triangle_list *tlist){
ts_uint i;
for(i=0;i<tlist->n;i++){
- triangle_data_free(tlist->tria[i]->data);
+ if(tlist->tria[i]->neigh!=NULL) free(tlist->tria[i]->neigh);
free(tlist->tria[i]);
}
free(tlist->tria);
--
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