From 4d9d28c50ca3ce47660efe2bc051b319efe3f015 Mon Sep 17 00:00:00 2001 From: sanner Date: Mon, 11 Nov 2024 14:05:28 -0800 Subject: [PATCH] - extended setCords() and _setCoo9rds doc string with a description of the overwrite arguemnt\n- fixed typo in setBondOrders dock string --- prody/atomic/atomgroup.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/prody/atomic/atomgroup.py b/prody/atomic/atomgroup.py index 044b00544..bef0adcfd 100644 --- a/prody/atomic/atomgroup.py +++ b/prody/atomic/atomgroup.py @@ -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: @@ -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: @@ -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