From e016c401c98b6a33392b551b2c40fccded21efe3 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 23 Feb 2012 14:43:30 +0000
Subject: [PATCH] bond data removed
---
src/frame.c | 40 +++++++++++++++++++++-------------------
1 files changed, 21 insertions(+), 19 deletions(-)
diff --git a/src/frame.c b/src/frame.c
index f89f6bc..faa1db8 100644
--- a/src/frame.c
+++ b/src/frame.c
@@ -1,43 +1,43 @@
#include<stdlib.h>
#include "general.h"
#include "cell.h"
-
+#include "frame.h"
ts_bool centermass(ts_vesicle *vesicle){
- ts_uint i;
+ ts_uint i, n=vesicle->vlist->n;
+ ts_vertex **vtx=vesicle->vlist->vtx;
vesicle->cm[0]=0;
vesicle->cm[1]=0;
vesicle->cm[2]=0;
- for(i=0;i<vesicle->vlist.n;i++){
- vesicle->cm[0]+=vesicle->vlist.vertex[i].x;
- vesicle->cm[1]+=vesicle->vlist.vertex[i].y;
- vesicle->cm[2]+=vesicle->vlist.vertex[i].z;
+ 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]/=(float)vesicle->vlist.n;
- vesicle->cm[1]/=(float)vesicle->vlist.n;
- vesicle->cm[2]/=(float)vesicle->vlist.n;
+ vesicle->cm[0]/=(ts_float)n;
+ vesicle->cm[1]/=(ts_float)n;
+ vesicle->cm[2]/=(ts_float)n;
return TS_SUCCESS;
}
-ts_bool cell_ocupation(ts_vesicle *vesicle){
- ts_uint i,j,cellidx;
+ts_bool cell_occupation(ts_vesicle *vesicle){
+ ts_uint i,cellidx, n=vesicle->vlist->n;
ts_double shift;
ts_double dcell;
- shift=(ts_double) vesicle->clist.ncmax[0]/2;
+ shift=(ts_double) vesicle->clist->ncmax[0]/2;
dcell=1.0/(1.0 + vesicle->stepsize);
- ts_uint ncx, ncy,ncz;
- cell_list_cell_ocupation_clear(&vesicle->clist);
- for(i=0;i<vesicle->vlist.n;i++){
-
- cellidx=vertex_self_avoidance(vesicle, &vesicle->vlist.vertex[i]);
- vesicle->vlist.vertex[i].cell=&(vesicle->clist.cell[cellidx]);
+ 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];
- cell_add_vertex(&vesicle->clist.cell[cellidx],&vesicle->vlist.vertex[i]);
+ 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?
@@ -52,5 +52,7 @@
}
*/
+ if(dcell);
+ if(shift);
return TS_SUCCESS;
}
--
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