Trisurf Monte Carlo simulator
Samo Penic
2016-05-28 24d7222974b050e04a79bccc5d8350929a0c3456
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 +40,22 @@
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->R_nucleusX=tape->R_nucleusX*tape->R_nucleusX;
   vesicle->R_nucleusY=tape->R_nucleusY*tape->R_nucleusY;
   vesicle->R_nucleusZ=tape->R_nucleusZ*tape->R_nucleusZ;
   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);
@@ -79,10 +93,9 @@
   
   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);
//   ts_fprintf(stdout, "Tape setting: xk0=%e\n",tape->xk0);
   vesicle->stepsize=tape->stepsize;
   vesicle->clist->ncmax[0]=tape->ncxmax;
   vesicle->clist->ncmax[1]=tape->ncymax;
@@ -91,8 +104,13 @@
   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;
}