From e6efc61995516174081e923004477e3ff0853515 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 19 Sep 2017 12:35:28 +0000 Subject: [PATCH] Added comments for spontaneous curvature in energy.c and tape --- src/vesicle.c | 53 +++++++++++++++++++++++++++++++++++++++++++++-------- 1 files changed, 45 insertions(+), 8 deletions(-) diff --git a/src/vesicle.c b/src/vesicle.c index e1cc21d..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(); @@ -33,24 +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_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; +} + +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; +} -- Gitblit v1.9.3