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/initial_distribution.c | 47 +++++++++++++++++++++++------------------------
1 files changed, 23 insertions(+), 24 deletions(-)
diff --git a/src/initial_distribution.c b/src/initial_distribution.c
index 4881e11..a88014b 100644
--- a/src/initial_distribution.c
+++ b/src/initial_distribution.c
@@ -20,11 +20,12 @@
retval = vtx_set_global_values(vesicle);
retval = pentagonal_dipyramid_vertex_distribution(vesicle->vlist);
retval = init_vertex_neighbours(vesicle->vlist);
- retval = init_sort_neighbours(vesicle->vlist);
- retval = init_vesicle_bonds(vesicle);
+ vesicle->vlist = init_sort_neighbours(vesicle->blist,vesicle->vlist);
+ // retval = init_vesicle_bonds(vesicle); // bonds are created in sort_neigh
retval = init_triangles(vesicle);
retval = init_triangle_neighbours(vesicle);
retval = init_common_vertex_triangle_neighbours(vesicle);
+ retval = init_normal_vectors(vesicle->tlist);
retval = mean_curvature_and_energy(vesicle);
ts_fprintf(stderr,"initial_distribution finished!\n");
return vesicle;
@@ -150,21 +151,21 @@
return TS_SUCCESS;
}
-// TODO: with new datastructure can be rewritten.
-ts_bool init_sort_neighbours(ts_vertex_list *vlist){
+// TODO: with new datastructure can be rewritten. Partially it is done, but it is complicated.
+ts_vertex_list *init_sort_neighbours(ts_bond_list *blist,ts_vertex_list *vlist){
ts_vertex **vtx=vlist->vtx -1; // take a look at dipyramid function for comment.
ts_uint i,l,j,jj,jjj,k=0;
ts_double eps=0.001; // Take a look if EPS from math.h can be used
/*lets initialize memory for temporary vertex_list. Should we write a function instead */
- ts_vertex_list *tvlist=init_vertex_list(vlist->n);
+ ts_vertex_list *tvlist=vertex_list_copy(vlist);
ts_vertex **tvtx=tvlist->vtx -1; /* again to compensate for 0-indexing */
ts_double dist2; // Square of distance of neighbours
ts_double direct; // Something, dont know what, but could be normal of some kind
for(i=1;i<=vlist->n;i++){
k++; // WHY i IS NOT GOOD??
- vtx_add_neighbour(tvtx[k], tvtx[vtx[i]->data->neigh[0]->idx+1]); //always add 1st
+ vtx_add_cneighbour(blist,tvtx[k], tvtx[vtx[i]->data->neigh[0]->idx+1]); //always add 1st
jjj=1;
jj=1;
for(l=2;l<=vtx[i]->data->neigh_no;l++){
@@ -172,7 +173,7 @@
dist2=vtx_distance_sq(vtx[i]->data->neigh[j-1],vtx[i]->data->neigh[jj-1]);
direct=vtx_direct(vtx[i],vtx[i]->data->neigh[j-1],vtx[i]->data->neigh[jj-1]);
if( (fabs(dist2-A0*A0)<=eps) && (direct>0.0) && (j!=jjj) ){
- vtx_add_neighbour(tvtx[k],tvtx[vtx[i]->data->neigh[j-1]->idx+1]);
+ vtx_add_cneighbour(blist,tvtx[k],tvtx[vtx[i]->data->neigh[j-1]->idx+1]);
jjj=jj;
jj=j;
break;
@@ -180,24 +181,19 @@
}
}
}
-
- for(i=1;i<=vlist->n;i++){
- for(j=1;j<=vtx[i]->data->neigh_no;j++){
- if(vtx[i]->data->neigh_no!=tvtx[i]->data->neigh_no){ //doesn't work with nshell=1!
-// fprintf(stderr,"data1=%u data2=%u\n",vtx[i]->data->neigh_no,tvtx[i]->data->neigh_no);
- fatal("Number of neighbours not the same in init_sort_neighbours.",4);
- }
- //we must correct the pointers in original to point to their
- //neighbours according to indexes. Must be sure not to do it any
- //other way! Also, we need to repair the collection of bonds...
- vtx[i]->data->neigh[j-1]=vtx[tvtx[i]->data->neigh[j-1]->idx+1];
- }
+/* We use the temporary vertex for our main vertices and we abandon main
+ * vertices, because their neighbours are not correctly ordered */
+ // tvtx=vlist->vtx;
+ // vlist->vtx=tvtx;
+ // tvlist->vtx=vtx;
+ vtx_list_free(vlist);
+/* Let's make a check if the number of bonds is correct */
+ if((blist->n)!=3*(tvlist->n-2)){
+ ts_fprintf(stderr,"Number of bonds is %u should be %u!\n", blist->n, 3*(tvlist->n-2));
+ fatal("Number of bonds is not 3*(no_vertex-2).",4);
}
- // Must free memory for temporary vertex array to avoid memory leak! HERE! NOW!
-// free_vertex(tvlist.vertex,tvlist.n);
- vtx_list_free(tvlist);
- return TS_SUCCESS;
+ return tvlist;
}
@@ -350,7 +346,10 @@
if((vtx[i]==k3 && k1==k4 && k2==k5) ||
(vtx[i]==k4 && k1==k5 && k2==k3) ||
(vtx[i]==k5 && k1==k3 && k2==k4)){
- // ts_fprintf(stderr, "Added to tristar! ");
+
+//TODO: probably something wrong with neighbour distribution.
+// if(vtx[i]==k3 || vtx[i]==k4 || vtx[i]==k5){
+ // if(i==6) ts_fprintf(stdout, "Vtx[%u] > Added to tristar!\n",i);
vertex_add_tristar(vtx[i],tria[k]);
}
}
--
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