From 3de2893d882d2c407375146376fbf9bb54f33e8b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 30 Apr 2014 13:44:12 +0000
Subject: [PATCH] Constant volume works. CAVEAT: in centermass I had to recalculate all normals of triangles again! This could influence behaviour of the system.
---
src/constvol.c | 17 ++++++++---------
1 files changed, 8 insertions(+), 9 deletions(-)
diff --git a/src/constvol.c b/src/constvol.c
index be69edf..72e902a 100644
--- a/src/constvol.c
+++ b/src/constvol.c
@@ -43,9 +43,6 @@
}
// All checks OK!
- for(j=0;j<vtx_moved->neigh_no;j++){
- memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex));
- }
dvol=0.0;
for(j=0;j<vtx_moved->tristar_no;j++){
dvol-=vtx_moved->tristar[j]->volume;
@@ -86,9 +83,6 @@
vtx_moved->z=vtx_moved->z*(1-dh/Rv);
//check for constraints
if(constvolConstraintCheck(vesicle, vtx_moved)==TS_FAIL){
- for(j=0;j<vtx_moved->neigh_no;j++){
- memcpy((void *)vtx_moved->neigh[j],(void *)&backupvtx[j+1],sizeof(ts_vertex));
- }
vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
//also, restore normals
for(j=0;j<vtx_moved->tristar_no;j++) triangle_normal_vector(vtx_moved->tristar[j]);
@@ -104,6 +98,10 @@
if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){
//calculate energy, return change in energy...
// fprintf(stderr, "Constvol success! %e\n",voldiff);
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex));
+ }
+
oenergy=vtx_moved->energy;
energy_vertex(vtx_moved);
delta_energy=vtx_moved->xk*(vtx_moved->energy - oenergy);
@@ -159,10 +157,11 @@
ts_bool constvolumerestore(ts_vertex *vtx_moved,ts_vertex *vtx_backup){
ts_uint j;
memcpy((void *)vtx_moved,(void *)&vtx_backup[0],sizeof(ts_vertex));
- for(j=0;j<vtx_moved->neigh_no;j++){
- memcpy((void *)vtx_moved->neigh[j],(void *)&vtx_backup[j+1],sizeof(ts_vertex));
- }
for(j=0;j<vtx_moved->tristar_no;j++) triangle_normal_vector(vtx_moved->tristar[j]);
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ // memcpy((void *)vtx_moved->neigh[j],(void *)&vtx_backup[j+1],sizeof(ts_vertex));
+ energy_vertex(vtx_moved->neigh[j]);
+ }
free(vtx_backup);
return TS_SUCCESS;
--
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