From 1d5dff5a3576a028f691608ef9369844efdfe82b Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 29 Nov 2013 14:43:30 +0000
Subject: [PATCH] Structures for grafted polymers (Samo&Miha)
---
src/poly.c | 36 ++++++++++++++++++++++++++++++++++++
src/general.h | 21 +++++++++++++++++++--
2 files changed, 55 insertions(+), 2 deletions(-)
diff --git a/src/general.h b/src/general.h
index 063e124..5194460 100644
--- a/src/general.h
+++ b/src/general.h
@@ -126,8 +126,6 @@
ts_uint coord_type;
} ts_coord;
-
-
/** @brief Data structure of all data connected to a vertex
*
* ts_vertex holds the data for one single point (bead, vertex). To understand how to use it
@@ -155,6 +153,7 @@
ts_double projArea;
ts_double relR;
ts_double solAngle;
+ struct ts_poly *grafted_poly;
};
typedef struct ts_vertex ts_vertex;
@@ -227,6 +226,23 @@
+struct ts_poly {
+ ts_vertex_list *vlist;
+ ts_bond_list *blist;
+ ts_vertex *grafted_vtx;
+};
+typedef struct ts_poly ts_poly;
+
+
+struct ts_poly_list {
+ ts_uint n;
+ ts_poly **poly;
+};
+typedef struct ts_poly_list ts_poly_list;
+
+
+
+
typedef struct {
ts_vertex_list *vlist;
ts_bond_list *blist;
@@ -239,6 +255,7 @@
ts_double cm[3];
ts_double volume;
ts_spharm *sphHarmonics;
+ ts_poly_list *poly_list;
} ts_vesicle;
diff --git a/src/poly.c b/src/poly.c
new file mode 100644
index 0000000..f362dd0
--- /dev/null
+++ b/src/poly.c
@@ -0,0 +1,36 @@
+ts_poly *init_poly(ts_uint n, ts_vertex *grafted_vtx){
+ ts_poly *poly=(ts_poly *)calloc(1,sizeof(ts_poly));
+ poly->vlist = init_vertex_list(n);
+ poly->blist = init_bond_list();
+ poly->grafted_vtx = grafted_vtx;
+ grafted_vtx->grafted_poly = poly;
+
+ ts_uint i;
+ for(i=0,i<n-1,i++){
+ vtx_add_cneighbour(poly->blist, poly->vlist->vtx[i], poly->vlist->vtx[i+1]);
+ }
+
+ return poly;
+}
+
+
+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));
+
+ if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);}
+
+ ts_uint i=0;
+ ts_uint gvtxi;
+ while(i<n_poly){
+ gvtxi = rand() % vlist->n
+ if (vlist->vtx[gvtxi]->grafted_poly == NULL){
+ poly_list->poly = init_poly(n_mono, vlist->vtx[gvtxi]);
+ i++;
+ }
+ }
+
+ poly_list->n = n_poly;
+
+ return poly_list;
+}
+
--
Gitblit v1.9.3