From b2fa8c6b55c420c079f285224f8d56ed03939767 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 29 Apr 2014 18:13:26 +0000
Subject: [PATCH] Bondflip doesnt segfaults anymore. Bondflip is disabled, debugging vertexmove
---
src/constvol.c | 21 +++++++++++++++++++--
src/timestep.c | 7 ++++---
src/bondflip.c | 22 +++++++++-------------
src/vertexmove.c | 2 +-
4 files changed, 33 insertions(+), 19 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 31836e8..1a21d92 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -189,9 +189,8 @@
if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol;
}
- retval=TS_SUCCESS;
if(vesicle->tape->constvolswitch == 1){
- retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
+ retval=constvolume(vesicle, it, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
if(retval==TS_FAIL){
/* restoration procedure copied from few lines below */
for(i=0;i<4;i++){
@@ -206,7 +205,6 @@
/* level 2 pointers are redirected*/
}
memcpy(bond,bck_bond,sizeof(ts_bond));
-
for(i=0;i<4;i++){
free(bck_vtx[i]);
free(bck_tria[i]);
@@ -214,13 +212,11 @@
for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
fprintf(stderr,"\n"); */
}
-
free(bck_bond);
return TS_FAIL;
-
}
-
- delta_energy+=delta_energy_cv;
+
+ delta_energy+=delta_energy_cv;
}
@@ -239,6 +235,9 @@
//not accepted, reverting changes
//restore all backups
// fprintf(stderr,"Restoring!!!\n");
+ if(vesicle->tape->constvolswitch == 1){
+ constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
+ }
for(i=0;i<4;i++){
// fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
@@ -263,9 +262,6 @@
free(bck_bond);
- if(vesicle->tape->constvolswitch == 1){
- constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
- }
// fprintf(stderr,"Restoration complete!!!\n");
return TS_FAIL;
@@ -274,6 +270,9 @@
/* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
// fprintf(stderr,"SUCCESS!!!\n");
+ if(vesicle->tape->constvolswitch == 1){
+ constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
+ }
// delete all backups
for(i=0;i<4;i++){
free(bck_vtx[i]->neigh);
@@ -288,9 +287,6 @@
*/
}
free(bck_bond);
- if(vesicle->tape->constvolswitch == 1){
- constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
- }
return TS_SUCCESS;
}
diff --git a/src/constvol.c b/src/constvol.c
index 7a7669a..33922b4 100644
--- a/src/constvol.c
+++ b/src/constvol.c
@@ -15,7 +15,6 @@
ts_uint Ntries=20;
ts_vertex *backupvtx;
ts_double Rv, dh, dvol, voldiff, oenergy,delta_energy;
-
backupvtx=(ts_vertex *)calloc(sizeof(ts_vertex),10);
ts_double l0 = (1.0 + sqrt(vesicle->dmax))/2.0; //make this a global constant if necessary
for(i=0;i<Ntries;i++){
@@ -25,6 +24,11 @@
for(j=0;j<vtx_moved->neigh_no;j++){
if(vtx_moved->neigh[j]==vtx_avoid) continue;
+/* for(k=0;k<vtx_moved->neigh[j]->neigh_no;k++){
+ if(vtx_moved->neigh[j]->neigh[k]==vtx_avoid) continue;
+ }
+*/
+
}
memcpy((void *)&backupvtx[0],(void *)vtx_moved,sizeof(ts_vertex));
@@ -46,8 +50,8 @@
// fprintf(stderr,"Sprejet.\n");
// All checks OK!
+ fprintf(stderr, "Step 1 success\n");
- // doing second and final move.
for(j=0;j<vtx_moved->neigh_no;j++){
memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex));
}
@@ -74,8 +78,10 @@
*retEnergy=delta_energy;
*vtx_backup=backupvtx;
*vtx_moved_retval=vtx_moved;
+ fprintf(stderr, "Preliminary success\n");
return TS_SUCCESS;
}
+ fprintf(stderr, "Step 2 success\n");
//do it again ;)
dh=Vol*dh/dvol;
vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
@@ -91,7 +97,16 @@
continue;
}
+ dvol=0.0;
+ for(j=0;j<vtx_moved->tristar_no;j++){
+ dvol-=vtx_moved->tristar[j]->volume;
+ triangle_normal_vector(vtx_moved->tristar[j]);
+ dvol+=vtx_moved->tristar[j]->volume;
+ }
+
+ fprintf(stderr, "Step 3a success voldiff=%e\n",voldiff);
voldiff=dvol-Vol;
+ fprintf(stderr, "Step 3b success voldiff=%e\n",voldiff);
if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){
//calculate energy, return change in energy...
oenergy=vtx_moved->energy;
@@ -106,12 +121,14 @@
*retEnergy=delta_energy;
*vtx_backup=backupvtx;
*vtx_moved_retval=vtx_moved;
+ fprintf(stderr, "DVOL=%e\n",voldiff);
return TS_SUCCESS;
}
}
free(backupvtx);
+ fprintf(stderr, "fail\n");
return TS_FAIL;
}
diff --git a/src/timestep.c b/src/timestep.c
index a8f0f94..2ecc30b 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -88,7 +88,7 @@
ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){
ts_bool retval;
ts_double rnvec[3];
- ts_uint i,j,b;
+ ts_uint i,j;//b;
ts_uint vmsrcnt=0;
for(i=0;i<vesicle->vlist->n;i++){
rnvec[0]=drand48();
@@ -100,10 +100,11 @@
ts_int bfsrcnt=0;
for(i=0;i<3*vesicle->vlist->n;i++){
- b=rand() % vesicle->blist->n;
+// b=rand() % vesicle->blist->n;
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
- retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+ // retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+ retval=TS_FAIL;
if(retval==TS_SUCCESS) bfsrcnt++;
}
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 83b28cd..9f263c8 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -119,7 +119,7 @@
};
if(vesicle->tape->constvolswitch == 1){
- retval=constvolume(vesicle, vtx, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
+ retval=constvolume(vesicle, vtx, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
if(retval==TS_FAIL){ // if we couldn't move the vertex to assure constant volume
vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
for(i=0;i<vtx->neigh_no;i++){
--
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