core

Library wide core utils.

class taurenmd.core.Path(*args, **kwargs)

Extends Python’s Path object interface.

myparents()

List of the path parent folders.

Alias to pathlib.Path.resolve().parents[0].

Returns

list – Parent paths. Name file or folder are excluded.

str()

Represent path as string.

Alias to os.fspath(self).

Returns

str – os.fspath(self).

taurenmd.core.add_reference(ref)

Add reference decorator.

Example

>>> @add_reference(str)
>>> def myfunct():
>>>     ...

taurenmd.core.ref_mda = '* MD data accessed using [MDAnalysis](https://www.mdanalysis.org).\n'

Command-line docstring to reference MDAnalysis package.

taurenmd.core.ref_mda_alignto = '* align performed by MDAnalysis [unwrap](https://www.mdanalysis.org/docs/documentation_pages/analysis/align.html?highlight=alignto#MDAnalysis.analysis.align.alignto).\n'

Command-line docstring to reference MDAnalysis alignto function.

taurenmd.core.ref_mda_selection = '* selection commands follow MDAnalysis [selection nomenclature](https://www.mdanalysis.org/docs/documentation_pages/selections.html#).\n'

Command-line docstring to reference MDAnalysis selection commands.

taurenmd.core.ref_mda_unwrap = '* unwrap performed by MDAnalysis [unwrap](https://www.mdanalysis.org/docs/documentation_pages/core/groups.html?highlight=unwrap#MDAnalysis.core.groups.AtomGroup.unwrap).\n'

Command-line docstring to reference MDAnalysis selection.unwrap method.

taurenmd.core.ref_mdt = '* MD data accessed and/or processed using [MDTraj](https://mdtraj.org/)\n'

Command-line docstring to reference MDTraj package.

taurenmd.core.ref_numpy = '* Matrix operations performed with [Numpy](https://www.scipy.org/citing.html).'

Command-line docstring to reference numpy lib.

taurenmd.core.ref_openmm = '* Data loaded with [OpenMM](http://openmm.org/)'

Command-line docstring to reference OpenMM package.

taurenmd.core.ref_taurenmd = '* Cite taurenmd according to: https://taurenmd.readthedocs.io/en/latest/citing.html\n'

How to cite taurenmd project.