__init__(self,
msys_model,
cms_model,
asl=None,
gids=None)
(Constructor)
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Refer to the docstring of Com.__init__.
- Parameters:
asl - ASL expression to specify the atom selection
gids - GIDs of atoms
Both msys_model and cms_model must be previously obtained through
the read_cms function. They both should
have the same atom coordinates and the same simulation box
matrix. cms_model is used to obtain
atom GIDs from ASL selection. msys_model is used to retrieve atom attribute
from GIDs.
Either asl or gids must be specified, but not both.
- Overrides:
object.__init__
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