From 1121faa13a2038facad22073f0fc610903d98691 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@CAE-linux.(none)>
Date: Fri, 05 Sep 2014 20:18:05 +0000
Subject: [PATCH] First variant of constant volume constrant (a new one proposed by Miha after reading his article). It seems to work, however there are still some things to be done, such as Miha's derivation of the epsvol (0.003% is used at the moment) and solving the problem of additional global variables.
---
src/frame.c | 51 +++++++++++++++++++++++++++++++++++++--------------
1 files changed, 37 insertions(+), 14 deletions(-)
diff --git a/src/frame.c b/src/frame.c
index 1ee270b..ec94292 100644
--- a/src/frame.c
+++ b/src/frame.c
@@ -2,8 +2,11 @@
#include "general.h"
#include "cell.h"
#include "frame.h"
+
+
+#include "triangle.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;
@@ -22,21 +25,37 @@
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;
- vesicle->cm[1]=0;
- vesicle->cm[2]=0;
+ vesicle->cm[0]=0.0;
+ vesicle->cm[1]=0.0;
+ vesicle->cm[2]=0.0;
+
+ for(i=0;i<vesicle->tlist->n;i++){
+ triangle_normal_vector(vesicle->tlist->tria[i]);
+ }
+
return TS_SUCCESS;
}
ts_bool cell_occupation(ts_vesicle *vesicle){
ts_uint i,j,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);
- //`fprintf(stderr, "Bil sem tu\n");
cell_list_cell_occupation_clear(vesicle->clist);
for(i=0;i<n;i++){
@@ -47,17 +66,21 @@
cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->vlist->vtx[i]);
}
+//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]);
+ }
+ }
+
-
-
- //fprintf(stderr, "Bil sem tu\n");
- //if(dcell);
- //if(shift);
return TS_SUCCESS;
}
--
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