From bc9583f9f05c86aa21da0d1b9081660a64d9ce31 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Wed, 26 Mar 2014 14:06:52 +0000
Subject: [PATCH] pswitch can be changed on the fly.
---
src/initial_distribution.c | 32 +++++++++++++++++++++++++++-----
1 files changed, 27 insertions(+), 5 deletions(-)
diff --git a/src/initial_distribution.c b/src/initial_distribution.c
index c7eed90..0587d18 100644
--- a/src/initial_distribution.c
+++ b/src/initial_distribution.c
@@ -37,22 +37,44 @@
ts_vesicle *create_vesicle_from_tape(ts_tape *tape){
ts_vesicle *vesicle;
+ ts_vertex *vtx;
+
vesicle=initial_distribution_dipyramid(tape->nshell,tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize);
// Nucleus:
- vesicle->R_nucleus=tape->R_nucleus;
+ vesicle->R_nucleus=tape->R_nucleus*tape->R_nucleus;
+
+ vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies;
+
//Initialize grafted polymers (brush):
vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle);
vesicle->spring_constant=tape->kspring;
poly_assign_spring_const(vesicle);
+
//Initialize filaments (polymers inside the vesicle):
vesicle->filament_list=init_poly_list(tape->nfil,tape->nfono, NULL, vesicle);
-ts_uint i,j;
- for(i=0;i<vesicle->filament_list->n;i++){
- for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ poly_assign_filament_xi(vesicle,tape);
- fprintf(stderr,"%e %e %e\n", vesicle->filament_list->poly[i]->vlist->vtx[j]->x,vesicle->filament_list->poly[i]->vlist->vtx[j]->y, vesicle->filament_list->poly[i]->vlist->vtx[j]->z );
+ ts_uint i,j;
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->blist->n;j++){
+ bond_vector(vesicle->filament_list->poly[i]->blist->bond[j]);
+ vesicle->filament_list->poly[i]->blist->bond[j]->bond_length = sqrt(vtx_distance_sq(vesicle->filament_list->poly[i]->blist->bond[j]->vtx1,vesicle->filament_list->poly[i]->blist->bond[j]->vtx2));
+ }
}
+
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ vtx = vesicle->filament_list->poly[i]->vlist->vtx[j];
+ if(vtx->bond_no == 2){
+ vtx->energy = -(vtx->bond[0]->x*vtx->bond[1]->x + vtx->bond[0]->y*vtx->bond[1]->y + vtx->bond[0]->z*vtx->bond[1]->z)/vtx->bond[0]->bond_length/vtx->bond[1]->bond_length;
+ }
+ }
}
+
+ for(i=0;i<vesicle->filament_list->n;i++){
+ vertex_list_assign_id(vesicle->filament_list->poly[i]->vlist,TS_ID_FILAMENT);
+ }
+
// vesicle->spring_constant=tape->kspring;
// poly_assign_spring_const(vesicle);
--
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