diff --git a/.gitignore b/.gitignore index ed3ff7b..df08524 100644 --- a/.gitignore +++ b/.gitignore @@ -14,3 +14,6 @@ doc/modules tmp/ *.xtcindex .spyproject/ +.traj.xtc_offsets.lock +.traj.xtc_offsets.npz +*.npy \ No newline at end of file diff --git a/mdevaluate/coordinates.py b/mdevaluate/coordinates.py index c976e2d..6cabe0a 100755 --- a/mdevaluate/coordinates.py +++ b/mdevaluate/coordinates.py @@ -362,6 +362,7 @@ class CoordinatesMap: self.frames = self.coordinates.frames self.atom_subset = self.coordinates.atom_subset self.function = function + self._slice = slice(None) if isinstance(function, partial): self._description = self.function.func.__name__ else: