From 82a8abcddd62838bfcd06b6081042caf4d385a88 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 13 Jul 2016 21:37:13 +0000
Subject: [PATCH] Seems that the bugs are fixed. Pegs are self avoidant now
---
src/vesicle.c | 41 +++++++++++++++++++++++++++++++++--------
1 files changed, 33 insertions(+), 8 deletions(-)
diff --git a/src/vesicle.c b/src/vesicle.c
index e1cc21d..bc69e62 100644
--- a/src/vesicle.c
+++ b/src/vesicle.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<general.h>
#include "vesicle.h"
#include "vertex.h"
@@ -5,10 +6,13 @@
#include "bond.h"
#include "cell.h"
#include "stdlib.h"
+#include "poly.h"
+#include "sh.h"
+#include "shcomplex.h"
ts_vesicle *init_vesicle(ts_uint N, ts_uint ncmax1, ts_uint ncmax2, ts_uint
ncmax3, ts_double stepsize){
- ts_vesicle *vesicle=(ts_vesicle *)malloc(sizeof(ts_vesicle));
+ ts_vesicle *vesicle=(ts_vesicle *)calloc(1,sizeof(ts_vesicle));
vesicle->vlist=init_vertex_list(N);
vesicle->blist=init_bond_list();
vesicle->tlist=init_triangle_list();
@@ -33,24 +37,45 @@
bond_list_free(vesicle->blist);
triangle_list_free(vesicle->tlist);
cell_list_free(vesicle->clist);
+ poly_list_free(vesicle->poly_list);
+ poly_list_free(vesicle->filament_list);
+ complex_sph_free(vesicle->sphHarmonics);
free(vesicle);
return TS_SUCCESS;
}
+/* @brief Function makes a sum of partial volumes of each triangle. Volumes of
+ *
+ * Partial volumes are calculated when we calculate normals of triangles. It is
+ * relatively easy to calculate the volume of vesicle if we take into account
+ * that the volume of the whole vertex is simply sum of all partial volumes of
+ * all the triangles.
+ */
ts_bool vesicle_volume(ts_vesicle *vesicle){
ts_double volume;
- ts_double vol;
ts_uint i;
ts_triangle **tria=vesicle->tlist->tria;
volume=0;
for(i=0; i<vesicle->tlist->n;i++){
- vol=(tria[i]->vertex[0]->x+ tria[i]->vertex[1]->x + tria[i]->vertex[2]->x) * tria[i]->xnorm +
- (tria[i]->vertex[0]->y+ tria[i]->vertex[1]->y + tria[i]->vertex[2]->y) * tria[i]->ynorm +
- (tria[i]->vertex[0]->z+ tria[i]->vertex[1]->z + tria[i]->vertex[2]->z) *
-tria[i]->znorm;
- volume=volume-vol/18.0;
+ volume=volume+tria[i]->volume;
}
-
vesicle->volume=volume;
return TS_SUCCESS;
}
+
+/* @brief Function makes a sum of partial areas of each triangle.
+ *
+ *
+ *
+ */
+ts_bool vesicle_area(ts_vesicle *vesicle){
+ ts_double area;
+ ts_uint i;
+ ts_triangle **tria=vesicle->tlist->tria;
+ area=0;
+ for(i=0;i<vesicle->tlist->n;i++){
+ area=area+tria[i]->area;
+ }
+ vesicle->area=area;
+ return TS_SUCCESS;
+}
--
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