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Modified 'c_plocar_io.c' to conform Numpy 1.7 API

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Oleg E. Peil 2015-02-19 12:25:04 +01:00 committed by Michel Ferrero
parent 7e894d98f6
commit 46474c0b3e
1 changed files with 20 additions and 27 deletions
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47
python/converters/vasp/c/plocar_io/c_plocar_io.c
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@ -1,7 +1,7 @@
#include <Python.h>
//#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION
#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION
#include <numpy/arrayobject.h>
#include <complex.h>
@ -76,8 +76,7 @@ io_read_plocar(PyObject *self, PyObject *args)
fh = fopen(fname, "r");
if(fh == NULL) {
// Treat this error separately because no clean-up is necessary
snprintf(errmsg, MAX_STR_LEN, "Error opening %s\n", fname);
strncat(errmsg, strerror(errno), MAX_STR_LEN);
snprintf(errmsg, MAX_STR_LEN, "Error opening %s\n%s", fname, strerror(errno));
PyErr_SetString(PyExc_IOError, errmsg);
return NULL;
}
@ -246,59 +245,53 @@ int read_arrays(FILE* fh, t_params* p, PyArrayObject* py_plo, PyArrayObject* py_
{
double complex *plo;
double *ferw;
int strd_plo[5], strd_ferw[4];
npy_intp idx5[5], idx4[4];
int ion, ik, ib, is, ilm;
int nlm;
long ind1, ind2;
float rtmp;
float complex rbuf[50];
double dtmp;
double complex dbuf[50];
// Initialize array pointers and strides
plo = (double complex *)py_plo->data;
strd_plo[0] = py_plo->strides[0] / sizeof(double complex);
strd_plo[1] = py_plo->strides[1] / sizeof(double complex);
strd_plo[2] = py_plo->strides[2] / sizeof(double complex);
strd_plo[3] = py_plo->strides[3] / sizeof(double complex);
strd_plo[4] = py_plo->strides[4] / sizeof(double complex);
ferw = (double *)py_ferw->data;
strd_ferw[0] = py_ferw->strides[0] / sizeof(double);
strd_ferw[1] = py_ferw->strides[1] / sizeof(double);
strd_ferw[2] = py_ferw->strides[2] / sizeof(double);
strd_ferw[3] = py_ferw->strides[3] / sizeof(double);
ind1 = 0;
ind2 = 0;
for(ion = 0; ion < p->nion; ion++) {
if(fread(&nlm, 4, 1, fh) < 1) goto error;
// printf(" nlm = %d\n", nlm);
for(is = 0; is < p->ns; is++)
for(ik = 0; ik < p->nk; ik++)
for(ib = 0; ib < p->nb; ib++) {
ind1 = strd_ferw[0] * ion + strd_ferw[1] * is + strd_ferw[2] * ik + strd_ferw[3] * ib;
ind2 = strd_plo[0] * ion + strd_plo[1] * is + strd_plo[2] * ik + strd_plo[3] * ib;
// Get the pointers to corresponding elements according to the new API
idx5[0] = ion;
idx5[1] = is;
idx5[2] = ik;
idx5[3] = ib;
idx5[4] = 0;
plo = (double complex *)PyArray_GetPtr(py_plo, idx5);
idx4[0] = ion;
idx4[1] = is;
idx4[2] = ik;
idx4[3] = ib;
ferw = (double *)PyArray_GetPtr(py_ferw, idx4);
if(p->isdouble) {
if(fread(&dtmp, sizeof(double), 1, fh) < 1) goto error;
if(fread(dbuf, sizeof(double complex), nlm, fh) < nlm) goto error;
ferw[ind1] = dtmp;
ferw[0] = dtmp;
// printf("%5d %5d %5d %5d %lf\n", ion, is, ik, ib, dtmp);
memcpy(plo + ind2, dbuf, nlm * sizeof(double complex));
memcpy(plo, dbuf, nlm * sizeof(double complex));
}
else {
if(fread(&rtmp, sizeof(float), 1, fh) < 1) goto error;
if(fread(rbuf, sizeof(float complex), nlm, fh) < nlm) goto error;
ferw[ind1] = (double)rtmp;
ferw[0] = (double)rtmp;
// printf("%5d %5d %5d %5d %f\n", ion, is, ik, ib, rtmp);
// In this case destination and source arrays are not compatible,
// we have to copy element-wise
for(ilm = 0; ilm < nlm; ilm++) {
plo[ind2 + ilm] = (double complex)rbuf[ilm];
plo[ilm] = (double complex)rbuf[ilm];
// printf("%5d %5d %f\n", ilm, ind2 + ilm, rbuf[ilm]);
}
} // if p->isdouble