i dZddlZddlmZddlmZddlmZddlmZdd lmZdd lm Z dd lm Z d e d e dej fdZ dS)a` Selection exporters =================== Functions to write a :class:`MDAnalysis.core.groups.AtomGroup` selection to a file so that it can be used in another programme. :mod:`MDAnalysis.selections.vmd` VMD_ selections :mod:`MDAnalysis.selections.pymol` PyMol_ selections :mod:`MDAnalysis.selections.gromacs` Gromacs_ selections :mod:`MDAnalysis.selections.charmm` CHARMM_ selections The :class:`MDAnalysis.selections.base.SelectionWriterBase` base class and helper functions are in :mod:`MDAnalysis.selections.base`, with the exception of `:func:get_writer`: .. autofunction:: get_writer N)_SELECTION_WRITERS)base)vmd)pymol)gromacs)charmm)jmolfilename defaultformatreturncDd}|r-tj|ddd}|p|}|} t |S#t $r+d|dt jd}t|dwxYw)aReturn a SelectionWriter for `filename` or a `defaultformat`. Parameters ---------- filename : str name of the output file; the extension is used to guess the file format defaultformat : str if `filename` does not have an extension, use `defaultformat` instead Returns ------- SelectionWriterBase : `type` the writer *class* for the detected format Raises ------ :exc:`NotImplementedError` for any format that is not defined Nrz Writing as z is not implemented; only z will work.) ospathsplitextstripupperrKeyErrorkeysNotImplementedError)r r formaterrmsgs h/srv/www/vhosts/g4struct/public_html/venv/lib/python3.11/site-packages/MDAnalysis/selections/__init__.py get_writerr;s(F3!!(++A.qrr2  $}F \\^^ ! ! # #F4!&)) 444 7& 7 7"')) 7 7 7 "&))t3 4s  A**5B)__doc__os.pathrrrrrr r r strSelectionWriterBaserrr#s2,!!!!!! 4 4S 4T5M 4 4 4 4 4 4r"