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/* Write an dx file, single density only
*/
/* Copyright (c) 2007 MJ Rutter
*
* This program 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 Licence, or (at your option) any later version.
*
* This program 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 this program; if not, see http://www.gnu.org/licenses/
*/
#include<stdio.h>
#include<stdlib.h>
#include "c2xsf.h"
void dx_write(FILE* outfile,struct unit_cell *c, struct grid *g){
int i,j,k;
double *dptr1,*dptr2;
fprintf(outfile,"# %s\n\n",g->name);
fprintf(outfile,"object 1 class array items %d data follows\n",
g->size[0]*g->size[1]*g->size[2]);
dptr2=g->data;
for(k=0;k<g->size[0];k++){
for(j=0;j<g->size[1];j++){
dptr1=dptr2+((k*g->size[1])+j)*g->size[2];
for(i=0;i<g->size[2];i++)
fprintf(outfile,"%f\n",*(dptr1+i));
}
}
fprintf(outfile," attribute \"dep\" string \"positions\"\n\n");
fprintf(outfile,"object 2 class gridpositions counts %d %d %d\n",
g->size[0],g->size[1],g->size[2]);
fprintf(outfile," origin 0.0 0.0 0.0\n");
for(i=0;i<3;i++)
fprintf(outfile," delta %f %f %f\n",c->basis[i][0]/g->size[i],
c->basis[i][1]/g->size[i],
c->basis[i][2]/g->size[i]);
fprintf(outfile,"\nobject 3 class gridconnections counts %d %d %d\n",
g->size[0],g->size[1],g->size[2]);
fprintf(outfile," attribute \"element type\" string \"cubes\"\n"
" attribute \"ref\" string \"positions\"\n\n");
fprintf(outfile,"object \"%s\" class field\n",g->name);
fprintf(outfile," component \"data\" 1\n"
" component \"positions\" 2\n"
" component \"connections\" 3\n");
}
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