From 3c1ac1fe8e26096762e39edddbb99e28167a59e1 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 06 Mar 2014 07:29:40 +0000
Subject: [PATCH] Dump state seems to work
---
src/poly.c | 34 ++++++++++++++++++++++++++++++----
1 files changed, 30 insertions(+), 4 deletions(-)
diff --git a/src/poly.c b/src/poly.c
index 20529e2..2057db1 100644
--- a/src/poly.c
+++ b/src/poly.c
@@ -4,7 +4,17 @@
#include"vertex.h"
#include"bond.h"
#include<math.h>
+#include"energy.h"
+ts_bool poly_assign_spring_const(ts_vesicle *vesicle){
+ ts_uint i;
+
+ for(i=0;i<vesicle->poly_list->n;i++){
+ vesicle->poly_list->poly[i]->k = vesicle->spring_constant;
+ }
+
+ return TS_SUCCESS;
+}
ts_poly *init_poly(ts_uint n, ts_vertex *grafted_vtx){
ts_poly *poly=(ts_poly *)calloc(1,sizeof(ts_poly));
@@ -19,6 +29,11 @@
vtx_add_neighbour(poly->vlist->vtx[i+1], poly->vlist->vtx[i]);
}
+ for(i=0;i<poly->blist->n;i++){
+ poly->blist->bond[i]->bond_length=sqrt(vtx_distance_sq(poly->blist->bond[i]->vtx1,poly->blist->bond[i]->vtx2));
+ bond_energy(poly->blist->bond[i],poly);
+ }
+
return poly;
}
@@ -26,7 +41,7 @@
ts_poly_list *init_poly_list(ts_uint n_poly, ts_uint n_mono, ts_vertex_list *vlist){
ts_poly_list *poly_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list));
poly_list->poly = (ts_poly **)calloc(n_poly,sizeof(ts_poly *));
- ts_uint i=0,j=0;
+ ts_uint i=0,j=0; //idx;
ts_uint gvtxi;
ts_double xnorm,ynorm,znorm,normlength;
@@ -49,9 +64,9 @@
ynorm=0.0;
znorm=0.0;
for (j=0;j<poly_list->poly[i]->grafted_vtx->tristar_no;j++){
- xnorm+=poly_list->poly[i]->grafted_vtx->tristar[j]->xnorm;
- ynorm+=poly_list->poly[i]->grafted_vtx->tristar[j]->ynorm;
- znorm+=poly_list->poly[i]->grafted_vtx->tristar[j]->znorm;
+ xnorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->xnorm;
+ ynorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->ynorm;
+ znorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->znorm;
}
normlength=sqrt(xnorm*xnorm+ynorm*ynorm+znorm*znorm);
xnorm=xnorm/normlength;
@@ -65,6 +80,17 @@
}
}
+ //index correction for polymeres. Important, since each vtx has to have unique id
+/* idx=vlist->n;
+ for(i=0;i<n_poly;i++){
+ for(j=0;j<n_mono;j++,idx++){
+
+ poly_list->poly[i]->vlist->vtx[j]->idx=idx;
+
+ }
+ }
+*/
+
return poly_list;
}
--
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