Loading deepchem/utils/voxel_utils.py +0 −4 Original line number Diff line number Diff line Loading @@ -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 Loading Loading
deepchem/utils/voxel_utils.py +0 −4 Original line number Diff line number Diff line Loading @@ -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 Loading
