Removed cached from open
This commit is contained in:
parent
a75091aa95
commit
2904d1e4d8
@ -20,7 +20,6 @@ def open(
|
||||
directory="",
|
||||
topology="*.tpr",
|
||||
trajectory="*.xtc",
|
||||
cached=False,
|
||||
nojump=False,
|
||||
index_file=None,
|
||||
charges=None,
|
||||
@ -32,13 +31,9 @@ def open(
|
||||
Args:
|
||||
directory: Directory of the simulation.
|
||||
topology (opt.):
|
||||
Descriptor of the topology file (tpr or gro). By default a tpr file is
|
||||
Descriptor of the topology file (tpr or gro). By default, a tpr file is
|
||||
used, if there is exactly one in the directoy.
|
||||
trajectory (opt.): Descriptor of the trajectory (xtc file).
|
||||
cached (opt.):
|
||||
If the trajectory reader should be cached. Can be True, an integer or None.
|
||||
If this is True maxsize is 128, otherwise this is used as maxsize for
|
||||
the cache, None means infinite cache (this is a potential memory leak!).
|
||||
nojump (opt.): If nojump matrixes should be generated. They will alwyas be loaded if present
|
||||
|
||||
Returns:
|
||||
@ -82,7 +77,6 @@ def open(
|
||||
atom_set, frames = reader.open_with_mdanalysis(
|
||||
top_file,
|
||||
traj_file,
|
||||
cached=cached,
|
||||
index_file=index_file,
|
||||
charges=charges,
|
||||
masses=masses,
|
||||
@ -97,7 +91,7 @@ def open(
|
||||
|
||||
|
||||
def open_energy(file):
|
||||
"""Reads an gromacs energy file and output the data in a pandas DataFrame.
|
||||
"""Reads a gromacs energy file and output the data in a pandas DataFrame.
|
||||
Args:
|
||||
file: Filename of the energy file
|
||||
"""
|
||||
|
Loading…
Reference in New Issue
Block a user