def set_positions(self, positions=None):
""" Set positions of atoms in the 3D display
Args:
positions (Matrix[length, shape=(*,3)]): positions to set atoms to - optional.
If not provided, positions are taken from current positions of the molecule.
Returns:
"""
if positions is None:
pos = self.mol.positions
else:
pos = positions
self.positions = pos.value_in(u.angstrom).tolist()
self._update_clipping(np.abs(pos.value_in(self.DISTANCE_UNITS)).max())
geometry_viewer.py 文件源码
python
阅读 22
收藏 0
点赞 0
评论 0
评论列表
文章目录