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/energy.c | 39 +++++++++++++++++++++++----------------
1 files changed, 23 insertions(+), 16 deletions(-)
diff --git a/src/energy.c b/src/energy.c
index 61720ee..abbb8e7 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -6,14 +6,14 @@
#include<stdio.h>
ts_bool mean_curvature_and_energy(ts_vesicle *vesicle){
- ts_uint i, jj, jjp;
+ ts_uint i;
- ts_vertex_list *vlist=&vesicle->vlist;
- ts_vertex *vtx=vlist->vertex;
+ ts_vertex_list *vlist=vesicle->vlist;
+ ts_vertex **vtx=vlist->vtx;
for(i=0;i<vlist->n;i++){
- //should call with zero index!!!
- energy_vertex(&vtx[i]);
+ energy_vertex(vtx[i]);
+
}
return TS_SUCCESS;
@@ -23,11 +23,12 @@
inline ts_bool energy_vertex(ts_vertex *vtx){
// ts_vertex *vtx=&vlist->vertex[n]-1; // Caution! 0 Indexed value!
// ts_triangle *tristar=vtx->tristar-1;
+ //ts_vertex_data *data=vtx->data;
ts_uint jj;
ts_uint jjp,jjm;
ts_vertex *j,*jp, *jm;
ts_triangle *jt;
- ts_double s=0,xh=0,yh=0,zh=0,txn=0,tyn=0,tzn=0;
+ ts_double s=0.0,xh=0.0,yh=0.0,zh=0.0,txn=0.0,tyn=0.0,tzn=0.0;
ts_double x1,x2,x3,ctp,ctm,tot,xlen;
ts_double h,ht;
for(jj=1; jj<=vtx->neigh_no;jj++){
@@ -38,9 +39,10 @@
j=vtx->neigh[jj-1];
jp=vtx->neigh[jjp-1];
jm=vtx->neigh[jjm-1];
+// printf("tristar_no=%u, neigh_no=%u, jj=%u\n",data->tristar_no,data->neigh_no,jj);
jt=vtx->tristar[jj-1];
- x1=vertex_distance_sq(vtx,jp); //shouldn't be zero!
- x2=vertex_distance_sq(j,jp); // shouldn't be zero!
+ x1=vtx_distance_sq(vtx,jp); //shouldn't be zero!
+ x2=vtx_distance_sq(j,jp); // shouldn't be zero!
x3=(j->x-jp->x)*(vtx->x-jp->x)+
(j->y-jp->y)*(vtx->y-jp->y)+
(j->z-jp->z)*(vtx->z-jp->z);
@@ -54,8 +56,8 @@
#ifdef TS_DOUBLE_LONGDOUBLE
ctp=x3/sqrtl(x1*x2-x3*x3);
#endif
- x1=vertex_distance_sq(vtx,jm);
- x2=vertex_distance_sq(j,jm);
+ x1=vtx_distance_sq(vtx,jm);
+ x2=vtx_distance_sq(j,jm);
x3=(j->x-jm->x)*(vtx->x-jm->x)+
(j->y-jm->y)*(vtx->y-jm->y)+
(j->z-jm->z)*(vtx->z-jm->z);
@@ -70,19 +72,21 @@
#endif
tot=ctp+ctm;
tot=0.5*tot;
- xlen=vertex_distance_sq(j,vtx);
+
+ xlen=vtx_distance_sq(j,vtx);
+/*
#ifdef TS_DOUBLE_DOUBLE
- vtx->bond_length[jj-1]=sqrt(xlen);
+ vtx->bond[jj-1]->bond_length=sqrt(xlen);
#endif
#ifdef TS_DOUBLE_FLOAT
- vtx->bond_length[jj-1]=sqrtf(xlen);
+ vtx->bond[jj-1]->bond_length=sqrtf(xlen);
#endif
#ifdef TS_DOUBLE_LONGDOUBLE
- vtx->bond_length[jj-1]=sqrtl(xlen);
+ vtx->bond[jj-1]->bond_length=sqrtl(xlen);
#endif
- vtx->bond_length_dual[jj-1]=tot*vtx->bond_length[jj-1];
-
+ vtx->bond[jj-1]->bond_length_dual=tot*vtx->bond[jj-1]->bond_length;
+*/
s+=tot*xlen;
xh+=tot*(j->x - vtx->x);
yh+=tot*(j->y - vtx->y);
@@ -116,6 +120,9 @@
vtx->curvature=-sqrtl(h);
}
#endif
+// What is vtx->c?????????????? Here it is 0!
+// c is forced curvature energy for each vertex. Should be set to zero for
+// normal circumstances.
vtx->energy=0.5*s*(vtx->curvature/s-vtx->c)*(vtx->curvature/s-vtx->c);
return TS_SUCCESS;
--
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