From 555fd8b3ff5c121d9faff1000d664fc653c912bf Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Wed, 02 Apr 2014 09:43:19 +0000
Subject: [PATCH] In cell.c changed comparison between vertices in a cell from idx to pointer (to avoid bug that two distinct vertices with same idx are not checked for proximity).
---
src/cell.c | 9 +++++++--
src/tape | 10 +++++-----
src/vertexmove.c | 1 -
3 files changed, 12 insertions(+), 8 deletions(-)
diff --git a/src/cell.c b/src/cell.c
index f95ff21..ed86b16 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -149,10 +149,15 @@
for(l=0;l<cell_occupation;l++){
//carefull with this checks!
- if(clist->cell[neigh_cidx]->vertex[l]->idx!=vtx->idx){
+ if(clist->cell[neigh_cidx]->vertex[l]!=vtx){
// fprintf(stderr,"calling dist on vertex %i\n",l);
dist=vtx_distance_sq(clist->cell[neigh_cidx]->vertex[l],vtx);
- // fprintf(stderr,"dist was %f\n",dist);
+
+// if(vtx->idx==1)
+// fprintf(stderr,"VTX(0) ima bliznji vertex z indeksom, %d, tipa %d \n", clist->cell[neigh_cidx]->vertex[l]->idx, clist->cell[neigh_cidx]->vertex[l]->id);
+// if(vtx->idx==0 && clist->cell[neigh_cidx]->vertex[l]->idx==0)
+// fprintf(stderr,"*** dist was %f\n",dist);
+
if(dist<=1.0 || (dist<=clist->dmin_interspecies && (clist->cell[neigh_cidx]->vertex[l]->id != vtx->id))) return TS_FAIL;
}
}
diff --git a/src/tape b/src/tape
index 2ad7f21..dbaabdb 100644
--- a/src/tape
+++ b/src/tape
@@ -12,9 +12,9 @@
# Pressure calculations
# (pswitch=1: calc. p*dV energy contribution)
-pswitch = 0
+pswitch = 1
# pressure difference: p_inside - p_outside (in units kT/l_min^3):
-pressure=-2.0
+pressure=-1.0
####### Polymer (brush) definitions ###########
# npoly is a number of polymers attached to npoly distinct vertices on vesicle
@@ -30,7 +30,7 @@
# nfono is a number of monomers in each filament
nfono=300
# Persistence lenght of the filaments (in units l_min)
-xi=100
+xi=5000
####### Nucleus (inside the vesicle) ###########
# Radius of an impenetrable hard sphere inside the vesicle
@@ -44,11 +44,11 @@
####### Program Control ############
#how many MC sweeps between subsequent records of states to disk
-mcsweeps=10000
+mcsweeps=10
#how many initial mcsweeps*inititer MC sweeps before recording to disk?
inititer=0
#how many records do you want on the disk iteration are there in a run?
-iterations=2000
+iterations=20
#shut up if we are using cluster!!!
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 9139ae2..6bc730e 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -310,7 +310,6 @@
cellidx=vertex_self_avoidance(vesicle, vtx);
//check occupation number
retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx);
-
if(retval==TS_FAIL){
vtx=memcpy((void *)vtx,(void *)&backupvtx,sizeof(ts_vertex));
return TS_FAIL;
--
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