space_spheric_symphi.cpp

/*
    Copyright 2017 Philippe Grandclement
 
    This file is part of Kadath.
 
    Kadath is free software: you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
    Kadath is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.
 
    You should have received a copy of the GNU General Public License
    along with Kadath.  If not, see <http://www.gnu.org/licenses/>.
*/
 
#include "headcpp.hpp"
#include "spheric_symphi.hpp"
#include "utilities.hpp"
#include "scalar.hpp"
#include "tensor_impl.hpp"
namespace Kadath {
Space_spheric_symphi::Space_spheric_symphi(int ttype, const Point& center, const Dim_array& res, double bound) {
 
 
    ndim = 3 ;
    
    nbr_domains = 1 ;
    type_base = ttype ;
    domains = new Domain* [nbr_domains] ;
    // Nucleus
    domains[0] = new Domain_nucleus_symphi(0, ttype, bound, center, res) ;
}
 
Space_spheric_symphi::Space_spheric_symphi(int ttype, const Point& center, const Dim_array& res, const Array<double>& bounds, bool withzec) {
 
 
    ndim = 3 ;
    
    nbr_domains = bounds.get_size(0) ;
    type_base = ttype ;
    domains = (withzec) ? new Domain* [nbr_domains+1]  : new Domain* [nbr_domains] ;
    // Nucleus
    domains[0] = new Domain_nucleus_symphi(0, ttype, bounds(0), center, res) ;
    for (int i=1 ; i<=nbr_domains-1 ; i++)
       domains[i] = new Domain_shell_symphi(i, ttype, bounds(i-1), bounds(i), center, res) ;
    if (withzec) {
        nbr_domains ++ ;
        domains[nbr_domains-1] =  new Domain_compact_symphi(nbr_domains-1, ttype, bounds(nbr_domains-2), center, res) ;
    }
}
 
 
 
Space_spheric_symphi::Space_spheric_symphi(FILE* fd, bool withzec) {
    fread_be (&nbr_domains, sizeof(int), 1, fd) ;
    fread_be (&ndim, sizeof(int), 1, fd) ;
    fread_be (&type_base, sizeof(int), 1, fd) ;
    domains = new Domain* [nbr_domains] ;
    //nucleus :
    domains[0] = new Domain_nucleus_symphi(0, fd) ;
    if (withzec) {
        for (int i=1 ; i<nbr_domains-1 ; i++)
                domains[i] = new Domain_shell_symphi(i, fd) ;
            domains[nbr_domains-1] = new Domain_compact_symphi(nbr_domains-1, fd) ;
       }
       else
        for (int i=1 ; i<=nbr_domains-1 ; i++)
                domains[i] = new Domain_shell_symphi(i, fd) ;
}
 
Space_spheric_symphi::~Space_spheric_symphi() {
}
 
void Space_spheric_symphi::save (FILE* fd) const  {
    fwrite_be (&nbr_domains, sizeof(int), 1, fd) ;
    fwrite_be (&ndim, sizeof(int), 1, fd) ; 
    fwrite_be (&type_base, sizeof(int), 1, fd) ;
    for (int i=0 ; i<nbr_domains ; i++)
        domains[i]->save(fd) ;
}
}