From fd8126e0965819f664ad0ae0c8d6a11e9509ea27 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 15 May 2016 18:30:42 +0000 Subject: [PATCH] Added -v flag to trisurf executable --- src/initial_distribution.c | 26 +++++++++++++++++++++----- 1 files changed, 21 insertions(+), 5 deletions(-) diff --git a/src/initial_distribution.c b/src/initial_distribution.c index a93e2ee..7dfd23d 100644 --- a/src/initial_distribution.c +++ b/src/initial_distribution.c @@ -1,3 +1,4 @@ +/* vim: set ts=4 sts=4 sw=4 noet : */ #include<stdlib.h> #include<math.h> #include<stdio.h> @@ -11,6 +12,8 @@ #include "energy.h" #include "poly.h" #include "io.h" +#include "sh.h" +#include "shcomplex.h" ts_vesicle *initial_distribution_dipyramid(ts_uint nshell, ts_uint ncmax1, ts_uint ncmax2, ts_uint ncmax3, ts_double stepsize){ ts_fprintf(stdout,"Starting initial_distribution on vesicle with %u shells!...\n",nshell); @@ -37,11 +40,20 @@ ts_vesicle *create_vesicle_from_tape(ts_tape *tape){ ts_vesicle *vesicle; - ts_vertex *vtx; vesicle=initial_distribution_dipyramid(tape->nshell,tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize); + vesicle->tape=tape; + set_vesicle_values_from_tape(vesicle); + return vesicle; +} + +ts_bool set_vesicle_values_from_tape(ts_vesicle *vesicle){ // Nucleus: - vesicle->R_nucleus=tape->R_nucleus; + ts_vertex *vtx; + ts_tape *tape=vesicle->tape; + vesicle->R_nucleus=tape->R_nucleus*tape->R_nucleus; + + vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies; //Initialize grafted polymers (brush): vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle); @@ -79,7 +91,6 @@ vesicle->nshell=tape->nshell; vesicle->dmax=tape->dmax*tape->dmax; /* dmax^2 in the vesicle dmax variable */ - vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies; vesicle->bending_rigidity=tape->xk0; vtx_set_global_values(vesicle); /* make xk0 default value for every vertex */ ts_fprintf(stdout, "Tape setting: xk0=%e\n",tape->xk0); @@ -91,8 +102,13 @@ vesicle->pressure= tape->pressure; vesicle->pswitch=tape->pswitch; - - return vesicle; + if(tape->shc>0){ + vesicle->sphHarmonics=complex_sph_init(vesicle->vlist,tape->shc); + } + else { + vesicle->sphHarmonics=NULL; + } + return TS_SUCCESS; } -- Gitblit v1.9.3