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/* Write a numpy array file, single density only, as floats or doubles */
/* MJR 11/2020 */
#include<stdio.h>
#include<stdlib.h>
#include "c2xsf.h"
#define MAX_HDR_LEN 256
void npy_write(FILE* outfile, struct grid *g){
char magic[6]={0x93,'N','U','M','P','Y'};
char *hdr,c;
float *x;
int i,ndata;
if ((!g)||(!g->data)) error_exit("No grid data to write");
if (fwrite(magic,1,6,outfile)!=6)
error_exit("Error writing magic number");
c=1;
fwrite(&c,1,1,outfile);
c=0;
fwrite(&c,1,1,outfile);
hdr=malloc(MAX_HDR_LEN);
for(i=0;i<MAX_HDR_LEN;i++) hdr[i]=' ';
i=snprintf(hdr,MAX_HDR_LEN,"{'descr': '<f%d', 'fortran_order': False,"
" 'shape': (%d, %d, %d) }",(flags&HIPREC)?8:4,
g->size[0],g->size[1],g->size[2]);
/* Remove terminating null */
hdr[i]=' ';
/* Some docs say round to multiple of 16, some to multiple of 64.
* Here 64 is used, so round i+10 up to multiple of 64 */
i=i+10;
i=i+(64-(i&63));
i=i-10;
hdr[i-1]='\n';
c=i&0xff;
fwrite(&c,1,1,outfile);
c=(i&0xff00)>>8;
fwrite(&c,1,1,outfile);
fwrite(hdr,1,i,outfile);
free(hdr);
ndata=g->size[0]*g->size[1]*g->size[2];
if (flags&HIPREC)
i=fwrite(g->data,sizeof(double),ndata,outfile);
else{
x=malloc(ndata*sizeof(float));
if (!x) error_exit("Malloc error in npy_write");
for(i=0;i<ndata;i++) x[i]=g->data[i];
i=fwrite(x,sizeof(float),ndata,outfile);
free(x);
}
if (i!=ndata)
error_exit("Error writing array");
}
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