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/* Write a numpy array file, single density only, as floats or doubles */
/* MJR 11/2020, 6/2023 */
#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;
void *data;
int i,j,k;
long ndata;
if ((!g)||(!g->data)) error_exit("No grid data to write");
ndata=g->size[0]*g->size[1]*g->size[2];
if (g->comps>1){ /* Transpose data */
if (flags&HIPREC)
data=malloc(sizeof(double)*ndata*g->comps);
else
data=malloc(sizeof(float)*ndata*g->comps);
if (!data) error_exit("Malloc error in npy_write");
k=0;
if (flags&HIPREC)
for(i=0;i<ndata;i++)
for(j=0;j<g->comps;j++)
((double*)data)[k++]=g->data[i+ndata*j];
else
for(i=0;i<ndata;i++)
for(j=0;j<g->comps;j++)
((float*)data)[k++]=g->data[i+ndata*j];
ndata*=g->comps;
}
else if (flags&HIPREC){
data=g->data;
}
else{
data=malloc(sizeof(float)*ndata);
if (!data) error_exit("Malloc error in npy_write");
for(i=0;i<ndata;i++)
((float*)data)[i]=g->data[i];
}
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]=' ';
if (g->comps==1)
i=snprintf(hdr,MAX_HDR_LEN,"{'descr': '%sf%d', 'fortran_order': False,"
" 'shape': (%d, %d, %d) }",(self_little_endian())?"<":">",
(flags&HIPREC)?8:4,
g->size[0],g->size[1],g->size[2]);
else
i=snprintf(hdr,MAX_HDR_LEN,"{'descr': '%sf%d', 'fortran_order': False,"
" 'shape': (%d, %d, %d, %d) }",(self_little_endian())?"<":">",
(flags&HIPREC)?8:4,
g->size[0],g->size[1],g->size[2],g->comps);
/* 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);
if (flags&HIPREC)
ndata*=sizeof(double);
else
ndata*=sizeof(float);
i=fwrite(data,1,ndata,outfile);
if (i!=ndata)
error_exit("Error writing array");
if ((g->comps!=1)||(!(flags&HIPREC))) free(data);
}
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