From 2c4278db6ead5c27e30a3000097ed898c968534e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 09 Mar 2019 19:45:22 +0000 Subject: [PATCH] Added direct force plugin and fixes in stretching energy --- src/vesicle.c | 39 ++++++++++++++++++++++++++++++++++++++- 1 files changed, 38 insertions(+), 1 deletions(-) diff --git a/src/vesicle.c b/src/vesicle.c index 9c5342a..99e21f9 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" @@ -5,7 +6,10 @@ #include "bond.h" #include "cell.h" #include "stdlib.h" - +#include "poly.h" +#include "sh.h" +#include "shcomplex.h" +#include "plugins.h" ts_vesicle *init_vesicle(ts_uint N, ts_uint ncmax1, ts_uint ncmax2, ts_uint ncmax3, ts_double stepsize){ @@ -34,6 +38,10 @@ 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); + plugin_list_free(vesicle->plist); free(vesicle); return TS_SUCCESS; } @@ -56,3 +64,32 @@ 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