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changed pbc to wrap
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davidercruz committed Jul 6, 2018
1 parent 39ef719 commit f3e74c9
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions package/MDAnalysis/transformations/rotate.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,9 +35,8 @@
from functools import partial

from ..lib.transformations import rotation_matrix
from ..core.groups import AtomGroup

def rotateby(angle, direction, point=None, center="geometry", pbc=False, ag=None):
def rotateby(angle, direction, point=None, center="geometry", wrap=False, ag=None):
'''
Rotates the trajectory by a given angle on a given axis. The axis is defined by
the user, combining the direction vector and a point. This point can be the center
Expand Down Expand Up @@ -75,7 +74,7 @@ def rotateby(angle, direction, point=None, center="geometry", pbc=False, ag=None
center: str, optional
used to choose the method of centering on the given atom group. Can be 'geometry'
or 'mass'
pbc: bool, optional
wrap: bool, optional
If `True`, all the atoms from the given AtomGroup will be moved to the unit cell
before calculating the center of mass or geometry. Default is `False`, no changes
to the atom coordinates are done before calculating the center of the AtomGroup.
Expand All @@ -93,7 +92,7 @@ def rotateby(angle, direction, point=None, center="geometry", pbc=False, ag=None
after rotating the trajectory.
'''
pbc_arg = pbc
pbc_arg = wrap
angle = np.deg2rad(angle)
if point:
point = np.asarray(point, np.float32)
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