Ignore Cython c files.
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@ -1,4 +1,4 @@
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# distutils: sources = mdevaluate/gromacs/compression.c
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# distutils: sources = pygmx/gromacs/compression.c
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from cython cimport view
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from array import array
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@ -19,28 +19,28 @@ cdef extern from "compression.h":
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def decompress(int size, float precision, minint, maxint, int smallidx, bytes blob):
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assert len(minint) == 3
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assert len(maxint) == 3
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cdef int minints[3]
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cdef int maxints[3]
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for i in range(3):
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minints[i] = minint[i]
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maxints[i] = maxint[i]
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cdef np.ndarray[float, ndim=2] coordinates = np.empty((size,3), dtype=np.float32)
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cdef size_t readed
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xdrfile_decompress_coord_float(
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<float *>coordinates.data,
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size,
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<float *>coordinates.data,
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size,
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precision,
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maxints,
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minints,
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smallidx,
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minints,
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smallidx,
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blob,
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len(blob),
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&readed)
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@ -2,9 +2,9 @@ import xdrlib
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import io
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import os
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from .coordinates import decompress
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from ..utils import hash_anything, merge_hashes
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from functools import partial
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import numpy as np
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import hashlib
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TRR_MAGIC = 1993
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XTC_MAGIC = 1995
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@ -352,7 +352,11 @@ class XTCReader(BaseReader):
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return [self[i].time for i in indices]
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def __hash__(self):
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return merge_hashes(hash_anything(self.filename), hash_anything(self._cache))
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m = hashlib.md5()
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m.update(self.filename.encode())
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m.update(str(self._cache).encode())
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return int.from_bytes(m.digest(), 'big')
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# return merge_hashes(hash_anything(self.filename), hash_anything(self._cache))
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class TRRHeader:
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