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Delete out of box warning
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ncfrey committed Mar 9, 2021
1 parent d6606e8 commit 558976d
Showing 1 changed file with 0 additions and 4 deletions.
4 changes: 0 additions & 4 deletions deepchem/utils/voxel_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -39,10 +39,6 @@ def convert_atom_to_voxel(coordinates: np.ndarray, atom_index: int,
indices = np.floor(
(coordinates[atom_index] + box_width / 2.0) / voxel_width).astype(int)

if ((indices < 0) | (indices >= box_width / voxel_width)).any():
logger.warning('Coordinates are outside of the box (atom id = %s,'
' coords xyz = %s, coords in box = %s' %
(atom_index, coordinates[atom_index], indices))
return indices


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