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/frame.c | 40 +++++++++++++++++++---------------------
1 files changed, 19 insertions(+), 21 deletions(-)
diff --git a/src/frame.c b/src/frame.c
index aa3c6e5..5cfede9 100644
--- a/src/frame.c
+++ b/src/frame.c
@@ -9,13 +9,24 @@
vesicle->cm[1]=0;
vesicle->cm[2]=0;
for(i=0;i<n;i++){
- vesicle->cm[0]+=vtx[i]->data->x;
- vesicle->cm[1]+=vtx[i]->data->y;
- vesicle->cm[2]+=vtx[i]->data->z;
+ vesicle->cm[0]+=vtx[i]->x;
+ vesicle->cm[1]+=vtx[i]->y;
+ vesicle->cm[2]+=vtx[i]->z;
}
vesicle->cm[0]/=(ts_float)n;
vesicle->cm[1]/=(ts_float)n;
vesicle->cm[2]/=(ts_float)n;
+
+ for(i=0;i<n;i++){
+ vtx[i]->x-=vesicle->cm[0];
+ vtx[i]->y-=vesicle->cm[1];
+ vtx[i]->z-=vesicle->cm[2];
+ }
+
+ vesicle->cm[0]=0;
+ vesicle->cm[1]=0;
+ vesicle->cm[2]=0;
+
return TS_SUCCESS;
}
@@ -25,32 +36,19 @@
ts_double dcell;
shift=(ts_double) vesicle->clist->ncmax[0]/2;
dcell=1.0/(1.0 + vesicle->stepsize);
+ //`fprintf(stderr, "Bil sem tu\n");
cell_list_cell_occupation_clear(vesicle->clist);
for(i=0;i<n;i++){
cellidx=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]);
- vesicle->vlist->vtx[i]->data->cell=vesicle->clist->cell[cellidx];
+// already done in cell_add_vertex
+// vesicle->vlist->vtx[i]->cell=vesicle->clist->cell[cellidx];
cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->vlist->vtx[i]);
- // if(ncx > vesicle->clist.ncmax[0]) vesicle->clist.ncmax[0]=ncx;
- // if(ncy > vesicle->clist.ncmax[1]) vesicle->clist.ncmax[1]=ncy;
- // if(ncz > vesicle->clist.ncmax[2]) vesicle->clist.ncmax[2]=ncz;
}
//fprintf(stderr, "Bil sem tu\n");
-
-
-/* This was already done in previous for loop.... Have I gained some time?
-
-
- for(i=0;i<vesicle->clist.ncmax[0]*vesicle->clist.ncmax[1]*vesicle->clist.ncmax[2];i++){
- vesicle->clist.cell[i].nvertex=0;
- for(j=0;j<vesicle->vlist.n;j++){
- //add_vertextocell;
- //add_vertextomonomer;
- }
- }
-
-*/
+ if(dcell);
+ if(shift);
return TS_SUCCESS;
}
--
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