[Bug]: AttributeError: 'MatGLStructure' object has no attribute '_get_tags'

[liubaoshuai1402]

Email (Optional)

374659678@shu.edu.cn

Version

2025.04.1

Which OS(es) are you using?

• MacOS
• Windows
• Linux

What happened?

Dear developers,

I try to use DIRECT sampling with the combination of maml and matgl.
I try to run the notebook (https://github.com/materialsvirtuallab/maml/blob/master/notebooks/direct/Example2_Ti-H.ipynb) but failed.
I failed at here:
DIRECT_selection = DIRECT_sampler.fit_transform(structures_20k_MD)

Because I don't have the file '10ps.traj' in the code.
I generate one by my self:
from ase.io.trajectory import Trajectory
from ase.io import read,write
db = read('dump.100ps.mp-2646995_64_Li24P8S32','::10')
write('10ps.traj', db)
I don't know whether it is responsible to this error.

About my python environment:
maml 2025.4.3
matgl 1.2.7
dgl 2.0.0

Code snippet

%%time
DIRECT_selection = DIRECT_sampler.fit_transform(structures_20k_MD)

Log output

AttributeError                            Traceback (most recent call last)
Cell In[12], line 1
----> 1 get_ipython().run_cell_magic('time', '', 'DIRECT_selection = DIRECT_sampler.fit_transform(structures_20k_MD)\n')

File d:\miniconda3\envs\maml\Lib\site-packages\IPython\core\interactiveshell.py:2565, in InteractiveShell.run_cell_magic(self, magic_name, line, cell)
   2563 with self.builtin_trap:
   2564     args = (magic_arg_s, cell)
-> 2565     result = fn(*args, **kwargs)
   2567 # The code below prevents the output from being displayed
   2568 # when using magics with decorator @output_can_be_silenced
   2569 # when the last Python token in the expression is a ';'.
   2570 if getattr(fn, magic.MAGIC_OUTPUT_CAN_BE_SILENCED, False):

File d:\miniconda3\envs\maml\Lib\site-packages\IPython\core\magics\execution.py:1470, in ExecutionMagics.time(self, line, cell, local_ns)
   1468 if interrupt_occured:
   1469     if exit_on_interrupt and captured_exception:
-> 1470         raise captured_exception
   1471     return
   1472 return out

File d:\miniconda3\envs\maml\Lib\site-packages\IPython\core\magics\execution.py:1434, in ExecutionMagics.time(self, line, cell, local_ns)
   1432 st = clock2()
   1433 try:
-> 1434     exec(code, glob, local_ns)
...
    130 def _is_multi_output(self) -> bool:
--> 131     tags = self._get_tags()
    132     return tags["multioutput"]

AttributeError: 'MatGLStructure' object has no attribute '_get_tags'

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