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python: numpy wrapper returns None in error cases

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lammps.numpy wrapper functions will now return None in error cases instead of
throwing exception with NULL pointer access errors. If nelem or dimension is zero
it will return an empty numpy array with the correct shape.
This commit is contained in:
Richard Berger
2025-01-30 14:57:41 -07:00
parent 48893236ec
commit 72542c1619
1 changed files with 35 additions and 29 deletions
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64
python/lammps/numpy_wrapper.py
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@ -422,45 +422,51 @@ class numpy_wrapper:
# ------------------------------------------------------------------------- # -------------------------------------------------------------------------
def iarray(self, c_int_type, raw_ptr, nelem, dim=1): def iarray(self, c_int_type, raw_ptr, nelem, dim=1):
if raw_ptr is None: if raw_ptr and nelem >= 0 and dim >= 0:
return None import numpy as np
np_int_type = self._ctype_to_numpy_int(c_int_type)
ptr = None
import numpy as np if dim == 1:
np_int_type = self._ctype_to_numpy_int(c_int_type) ptr = cast(raw_ptr, POINTER(c_int_type * nelem))
elif raw_ptr[0]:
ptr = cast(raw_ptr[0], POINTER(c_int_type * nelem * dim))
if dim == 1: if ptr:
ptr = cast(raw_ptr, POINTER(c_int_type * nelem)) a = np.frombuffer(ptr.contents, dtype=np_int_type)
else: else:
ptr = cast(raw_ptr[0], POINTER(c_int_type * nelem * dim)) a = np.empty(0, dtype=np_int_type)
a = np.frombuffer(ptr.contents, dtype=np_int_type) if dim > 1:
a.shape = (nelem, dim)
if dim > 1: else:
a.shape = (nelem, dim) a.shape = (nelem)
else: return a
a.shape = (nelem) return None
return a
# ------------------------------------------------------------------------- # -------------------------------------------------------------------------
def darray(self, raw_ptr, nelem, dim=1): def darray(self, raw_ptr, nelem, dim=1):
if raw_ptr is None: if raw_ptr and nelem >= 0 and dim >= 0:
return None import numpy as np
ptr = None
import numpy as np if dim == 1:
ptr = cast(raw_ptr, POINTER(c_double * nelem))
elif raw_ptr[0]:
ptr = cast(raw_ptr[0], POINTER(c_double * nelem * dim))
if dim == 1: if ptr:
ptr = cast(raw_ptr, POINTER(c_double * nelem)) a = np.frombuffer(ptr.contents)
else: else:
ptr = cast(raw_ptr[0], POINTER(c_double * nelem * dim)) a = np.empty(0, c_double)
a = np.frombuffer(ptr.contents) if dim > 1:
a.shape = (nelem, dim)
if dim > 1: else:
a.shape = (nelem, dim) a.shape = (nelem)
else: return a
a.shape = (nelem) return None
return a
# ------------------------------------------------------------------------- # -------------------------------------------------------------------------