From fbcbdf4093644e43688d9a44d6553d7153d8a2eb Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 29 Apr 2014 11:06:35 +0000
Subject: [PATCH] Constant volume in bondflip need lots of debugging
---
src/frame.c | 81 ++++++++++++++++++++++++++--------------
1 files changed, 52 insertions(+), 29 deletions(-)
diff --git a/src/frame.c b/src/frame.c
index a578188..237aa87 100644
--- a/src/frame.c
+++ b/src/frame.c
@@ -2,55 +2,78 @@
#include "general.h"
#include "cell.h"
#include "frame.h"
+
ts_bool centermass(ts_vesicle *vesicle){
- ts_uint i, n=vesicle->vlist->n;
+ ts_uint i,j, 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<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]/=(float)n;
- vesicle->cm[1]/=(float)n;
- vesicle->cm[2]/=(float)n;
+ 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];
+ }
+//move polymers for the same vector as we moved vesicle
+ for(i=0;i<vesicle->poly_list->n;i++){
+ for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
+ vesicle->poly_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0];
+ vesicle->poly_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1];
+ vesicle->poly_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2];
+ }
+ }
+//move filaments for the same vector as we moved vesicle
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ vesicle->filament_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0];
+ vesicle->filament_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1];
+ vesicle->filament_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2];
+ }
+ }
+
+ vesicle->cm[0]=0.0;
+ vesicle->cm[1]=0.0;
+ vesicle->cm[2]=0.0;
+
return TS_SUCCESS;
}
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;
- dcell=1.0/(1.0 + vesicle->stepsize);
+ ts_uint i,j,cellidx, n=vesicle->vlist->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;
}
-
-/* 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;
- }
+//Add all polymers to cells
+ for(i=0;i<vesicle->poly_list->n;i++){
+ for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
+ cellidx=vertex_self_avoidance(vesicle, vesicle->poly_list->poly[i]->vlist->vtx[j]);
+ cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->poly_list->poly[i]->vlist->vtx[j]);
+ }
}
+//Add all filaments to cells
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ cellidx=vertex_self_avoidance(vesicle, vesicle->filament_list->poly[i]->vlist->vtx[j]);
+ cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->filament_list->poly[i]->vlist->vtx[j]);
+ }
+ }
+
-*/
return TS_SUCCESS;
}
--
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