From 314f2dd60176b0f378baa66f5a5514fb15dddabc Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 23 Feb 2012 19:29:55 +0000
Subject: [PATCH] Debugging, but not finished yet! There are still problems in vertex move and extreme points that remain sharp edged.
---
src/vertexmove.c | 12 ++++++------
1 files changed, 6 insertions(+), 6 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index c8ce697..c62aeda 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -16,16 +16,15 @@
*rn){
ts_uint i;
ts_double dist;
- ts_vertex *tvtx=(ts_vertex *)calloc(1,sizeof(ts_vertex));
-// tvtx->data=init_vertex_data();
ts_bool retval;
ts_uint cellidx;
ts_double xold,yold,zold;
ts_double delta_energy,oenergy;
ts_vertex *ovtx;
+ ts_vertex *tvtx=(ts_vertex *)calloc(1,sizeof(ts_vertex));
//randomly we move the temporary vertex
- tvtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
+ tvtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
tvtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
tvtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
//check we if some length to neighbours are too much
@@ -33,16 +32,17 @@
dist=vtx_distance_sq(tvtx,vtx->neigh[i]);
if(dist<1.0 || dist>vesicle->dmax) {
vtx_free(tvtx);
+// fprintf(stderr,"Fail 1, dist=%f, vesicle->dmax=%f\n", dist, vesicle->dmax);
return TS_FAIL;
}
}
-//fprintf(stderr,"Was here!\n");
//self avoidance check with distant vertices
cellidx=vertex_self_avoidance(vesicle, tvtx);
//check occupation number
retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx,tvtx);
if(retval==TS_FAIL){
vtx_free(tvtx);
+// fprintf(stderr,"Fail 2\n");
return TS_FAIL;
}
@@ -68,7 +68,7 @@
energy_vertex(vtx->neigh[i]);
delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
}
-// fprintf(stderr, "DE=%f\n",delta_energy);
+// fprintf(stderr, "DE=%f\n",delta_energy);
//MONTE CARLOOOOOOOO
if(delta_energy>=0){
#ifdef TS_DOUBLE_DOUBLE
@@ -101,7 +101,7 @@
//END MONTE CARLOOOOOOO
//TODO: change cell occupation if necessary!
-
+// fprintf(stderr,"Success!!\n");
free(ovtx->bond_length);
free(ovtx->bond_length_dual);
free(ovtx);
--
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