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hbonds: KeyError: 'must have different key' #40

@RubenChM

Description

@RubenChM

Project name: tRNA model 2 + dicer

Error log:

/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pandas/core/computation/expressions.py:21: UserWarning: Pandas requires version '2.8.4' or newer of 'numexpr' (version '2.7.3' currently installed).
  from pandas.core.computation.check import NUMEXPR_INSTALLED
Traceback (most recent call last):
  File "/home/rchaves/miniforge3/envs/mwf_env/bin/mwf", line 7, in <module>
    sys.exit(main())
  File "/home/rchaves/repo/mwf/model_workflow/console.py", line 197, in main
    workflow(project_parameters = project_args, **workflow_args)
  File "/home/rchaves/repo/mwf/model_workflow/mwf.py", line 2513, in workflow
    getter(md)
  File "/home/rchaves/repo/mwf/model_workflow/mwf.py", line 341, in __call__
    output = self.func(**processed_args)
  File "/home/rchaves/repo/mwf/model_workflow/analyses/hydrogen_bonds.py", line 124, in hydrogen_bonds
    hbonds = pt.hbond(pt_trajectory, mask=interface_pt_mask)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/decorators.py", line 11, in inner
    return f(*args, **kwd)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/get_common_objects.py", line 314, in inner
    return f(*args, **kwargs)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/analysis/hbond_analysis.py", line 239, in hbond
    dslist_new = get_data_from_dtype(dslist, dtype='dataset')
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/get_common_objects.py", line 67, in get_data_from_dtype
    return DSL(d0)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 125, in __init__
    self.append(DataArray(d0), copy=copy)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 353, in append
    check_key(self, dset.key)
  File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 350, in check_key
    raise KeyError("must have different key")
KeyError: 'must have different key'

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