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- extended setCords() and _setCoo9rds doc string with a description o…
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…f the overwrite arguemnt\n- fixed typo in setBondOrders dock string
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michelsanner committed Nov 11, 2024
1 parent 12a03db commit 4d9d28c
Showing 1 changed file with 7 additions and 3 deletions.
10 changes: 7 additions & 3 deletions prody/atomic/atomgroup.py
Original file line number Diff line number Diff line change
Expand Up @@ -548,7 +548,9 @@ def setCoords(self, coords, label='', overwrite=False):
If shape of *coords* is ``(n_atoms, 3)`` or ``(1, n_atoms, 3)``, it
will replace the active coordinate set. *label* argument may be used
to label coordinate set(s). *label* may be a string or a list of
strings length equal to the number of coordinate sets."""
strings length equal to the number of coordinate sets. The optional
argument *overwrite* can be set to True to force resizing the
coordinates array when the number of atoms in the AtomGroup changed."""

atoms = coords
try:
Expand Down Expand Up @@ -578,7 +580,9 @@ def _setCoords(self, coords, label='', overwrite=False):
:class:`~numpy.float64`, e.g. :class:`~numpy.float32`. *label*
argument may be used to label coordinate sets. *label* may be
a string or a list of strings length equal to the number of
coordinate sets."""
coordinate sets. The optional argument *overwrite* can be set
to True to force resizing the coordinates array when the number
of atoms in the AtomGroup changed."""

n_atoms = self._n_atoms
if n_atoms:
Expand Down Expand Up @@ -1252,7 +1256,7 @@ def setCSLabels(self, labels):

def setBondOrders(self, bondOrders):
"""Set covalent bond order. *bondOrders* must be a list or an array
of integers and proide a value for each bond. Possible values are
of integers and provide a value for each bond. Possible values are
1:single, 2:double, 3:triple, 4:aromatic, 5:amide. The bond order of
all bonds must be set at once. This method must be called after
the setBonds() has been called. The bond order is stored in the
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