From d5d78a49c6b51fb1f6f0661d063034eaf65e02f7 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 25 Sep 2019 09:20:36 +0000
Subject: [PATCH] Constant volume and constant area fix. Removed spherical harmonics calculations in simulations. No ulm2.cvs and state.dat files are produced anymore
---
src/vesicle.c | 63 +++++++++++++++++++++++++++++--
1 files changed, 59 insertions(+), 4 deletions(-)
diff --git a/src/vesicle.c b/src/vesicle.c
index de7f9a1..fe4c4b1 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();
@@ -21,9 +25,9 @@
ts_vertex **vtx=vesicle->vlist->vtx;
ts_uint nn=vesicle->vlist->n;
for(i=0;i<nn;i++){
- vtx[i]->data->x+=x;
- vtx[i]->data->y+=y;
- vtx[i]->data->z+=z;
+ vtx[i]->x+=x;
+ vtx[i]->y+=y;
+ vtx[i]->z+=z;
}
return TS_SUCCESS;
}
@@ -33,6 +37,57 @@
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_uint i;
+ ts_triangle **tria=vesicle->tlist->tria;
+ volume=0;
+ for(i=0; i<vesicle->tlist->n;i++){
+ 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;
+}
+
+ts_double vesicle_meancurvature(ts_vesicle *vesicle){
+// Integrates (H dA) over vesicle area A, where H=(C1+C2)/2.
+// (To be devided by A outside of function)
+ ts_double mc;
+ ts_uint i;
+ mc=0;
+ for(i=0;i<vesicle->vlist->n;i++){
+ mc=mc+vesicle->vlist->vtx[i]->curvature;
+ }
+ return mc/2.0;
+}
--
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