Removed CachedReader
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1aa5eed106
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@ -32,17 +32,10 @@ class WrongTopologyError(Exception):
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def open_with_mdanalysis(
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def open_with_mdanalysis(
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topology, trajectory, cached=False, index_file=None, charges=None, masses=None
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topology, trajectory, index_file=None, charges=None, masses=None
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):
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):
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"""Open the topology and trajectory with mdanalysis."""
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"""Open the topology and trajectory with mdanalysis."""
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uni = mdanalysis.Universe(topology, trajectory, convert_units=False)
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uni = mdanalysis.Universe(topology, trajectory, convert_units=False)
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if cached is not False:
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if cached is True:
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maxsize = 128
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else:
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maxsize = cached
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reader = CachedReader(uni.trajectory, maxsize)
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else:
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reader = BaseReader(uni.trajectory)
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reader = BaseReader(uni.trajectory)
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reader.universe = uni
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reader.universe = uni
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if topology.endswith(".tpr"):
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if topology.endswith(".tpr"):
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@ -274,11 +267,6 @@ class BaseReader:
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self._nojump_matrixes = mats
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self._nojump_matrixes = mats
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def __init__(self, rd):
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def __init__(self, rd):
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"""
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Args:
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filename: Trajectory file to open.
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reindex (bool, opt.): If True, regenerate the index file if necessary.
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"""
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self.rd = rd
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self.rd = rd
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self._nojump_matrixes = None
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self._nojump_matrixes = None
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if path.exists(nojump_load_filename(self)):
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if path.exists(nojump_load_filename(self)):
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@ -291,39 +279,5 @@ class BaseReader:
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return len(self.rd)
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return len(self.rd)
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def __checksum__(self):
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def __checksum__(self):
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if hasattr(self.rd, "cache"):
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# Has an pygmx reader
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return checksum(self.filename, str(self.rd.cache))
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elif hasattr(self.rd, "_xdr"):
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# Has an mdanalysis reader
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cache = array("L", self.rd._xdr.offsets.tobytes())
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cache = array("L", self.rd._xdr.offsets.tobytes())
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return checksum(self.filename, str(cache))
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return checksum(self.filename, str(cache))
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class CachedReader(BaseReader):
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"""A reader that has a least-recently-used cache for frames."""
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@property
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def cache_info(self):
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"""Get Information about the lru cache."""
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return self._get_item.cache_info()
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def clear_cache(self):
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"""Clear the cache of the frames."""
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self._get_item.cache_clear()
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def __init__(self, rd, maxsize):
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"""
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Args:
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filename (str): Trajectory file that will be opened.
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maxsize: Maximum size of the lru_cache or None for infinite cache.
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"""
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super().__init__(rd)
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self._get_item = lru_cache(maxsize=maxsize)(self._get_item)
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def _get_item(self, item):
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"""Buffer function for lru_cache, since __getitem__ can not be cached."""
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return super().__getitem__(item)
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def __getitem__(self, item):
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return self._get_item(item)
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