IPKM/mdevaluate
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Renamed matrixes to matrices

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Sebastian Kloth 2024-01-09 13:00:12 +01:00
parent 949ed877fb
commit 7dd2074ee5
1 changed files with 3 additions and 3 deletions
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src/mdevaluate/__init__.py
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@ -38,7 +38,7 @@ def open(
used, if there is exactly one in the directoy. used, if there is exactly one in the directoy.
trajectory (opt.): Descriptor of the trajectory (xtc or trr file). trajectory (opt.): Descriptor of the trajectory (xtc or trr file).
nojump (opt.): nojump (opt.):
If nojump matrixes should be generated. They will alwyas be loaded If nojump matrices should be generated. They will alwyas be loaded
if present if present
index_file (opt.): Descriptor of the index file (ndx file). index_file (opt.): Descriptor of the index file (ndx file).
charges (opt.): charges (opt.):
@ -97,9 +97,9 @@ def open(
coords = coordinates.Coordinates(frames, atom_subset=atom_set) coords = coordinates.Coordinates(frames, atom_subset=atom_set)
if nojump: if nojump:
try: try:
frames.nojump_matrixes frames.nojump_matrices
except reader.NojumpError: except reader.NojumpError:
reader.generate_nojump_matrixes(coords) reader.generate_nojump_matrices(coords)
return coords return coords