From 978e52dad1ade8ab82871846e52449a064c201ac Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 11 Sep 2014 15:57:16 +0000
Subject: [PATCH] continuation of trisurf scripts
---
src/vertexmove.c | 29 ++++++++++++++++++++++++++---
1 files changed, 26 insertions(+), 3 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 36cf993..28a8880 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -92,7 +92,7 @@
memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
}
- if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){
+ if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){
for(i=0;i<vtx->tristar_no;i++) dvol-=vtx->tristar[i]->volume;
};
@@ -113,11 +113,27 @@
delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
}
- if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch == 1){
+ if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch >0){
for(i=0;i<vtx->tristar_no;i++) dvol+=vtx->tristar[i]->volume;
if(vesicle->pswitch==1) delta_energy-=vesicle->pressure*dvol;
};
+
+ if(vesicle->tape->constvolswitch==2){
+ /*check whether the dvol is gt than epsvol */
+ //fprintf(stderr,"DVOL=%1.16e\n",dvol);
+ if(fabs(vesicle->volume+dvol-V0)>epsvol){
+ //restore old state.
+ vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
+ for(i=0;i<vtx->neigh_no;i++){
+ vtx->neigh[i]=memcpy((void *)vtx->neigh[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
+ }
+ for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
+ //fprintf(stderr,"fajlam!\n");
+ return TS_FAIL;
+ }
+
+ } else
// vesicle_volume(vesicle);
// fprintf(stderr,"Volume before=%1.16e\n", vesicle->volume);
if(vesicle->tape->constvolswitch == 1){
@@ -150,7 +166,7 @@
//MONTE CARLOOOOOOOO
if(delta_energy>=0){
#ifdef TS_DOUBLE_DOUBLE
- if(exp(-delta_energy)< drand48() )
+ if(exp(-delta_energy)< drand48())
#endif
#ifdef TS_DOUBLE_FLOAT
if(expf(-delta_energy)< (ts_float)drand48())
@@ -174,6 +190,8 @@
constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
}
// fprintf(stderr, "after vtx(x,y,z)=%e,%e,%e\n",constvol_vtx_moved->x, constvol_vtx_moved->y, constvol_vtx_moved->z);
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
return TS_FAIL;
}
}
@@ -187,11 +205,16 @@
}
+ if(vesicle->tape->constvolswitch == 2){
+ vesicle->volume+=dvol;
+ } else
if(vesicle->tape->constvolswitch == 1){
constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
}
// if(oldcellidx);
//END MONTE CARLOOOOOOO
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after success=%1.16e\n", vesicle->volume);
return TS_SUCCESS;
}
--
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