From 2904d1e4d88be13d010191203f30c9a3f3bfd10d Mon Sep 17 00:00:00 2001 From: Sebastian Kloth Date: Fri, 10 Nov 2023 15:19:44 +0100 Subject: [PATCH] Removed cached from open --- src/mdevaluate/__init__.py | 10 ++-------- 1 file changed, 2 insertions(+), 8 deletions(-) diff --git a/src/mdevaluate/__init__.py b/src/mdevaluate/__init__.py index 5d422b1..f353f67 100644 --- a/src/mdevaluate/__init__.py +++ b/src/mdevaluate/__init__.py @@ -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 """