Return the arguments as a list as expected by subprocess.Popen. The arguments can be provided as a string that will be spitted to a list.

Get the arguments and the input directory from a test case.

Assert that two files are identical.

Return a vector with the occupancy of each grid point for given array of points

Get the path to the reference files for the simple test cases.

Determine molecule numbers for given total, absolute and relative numbers

Returns True is the path points to an executable file.

Parse lipid definition from string: alhead=C P, allink=A A, altail=TCC CCCC, alname=DPSM, charge=0.0

Parse a gro file Read an iterable over the lines of a GRO file. Returns the title, the atoms, and the box. The atoms are returned as a l

Return a :class:`~Lipid_List` of lipid definitions read from a ``lipids.dat``‑style file. Parameters ---------- lipfile An i

Run insane with the given arguments Insane is run in a copy of `input_directory`.

Return this ``Molecule``'s topology line with optional note.

Build/return a list of [(bead, x, y, z), ...]

Color insane arguments in regression tests

Compare two gro files with a tolerance on the coordinates The `stream` and `ref_stream` arguments are iterable over the lines of two GRO

Format differences between GRO files in a human readable way.

Command line entry point.

Join all args and return the real path, rooted at /. Expands '~', '~user', and environment variables such as :envvar`$HOME`. Returns ``None``

Rewrites insane regression test description for easy copy-paste

Adapt the size of the box to accomodate the lipids. The PBC is changed **in place**.

Return an optional note to be appended to the ``Molecule``'s topology line.

Write a GRO file. Parameters ---------- outfile The stream to write in. title The title of the GRO file. Must be

Write a PDB file. Parameters ---------- outfile The stream to write in. title The title of the GRO file. Must be

Does nothing when entering a 'with' statement.

Does nothing when exiting a 'with' statement.

Return handle if it is a ContextStringIO instance else try to open it.

Add lipids defined in the file at ``path`` to the given :class:`~Lipid_List` and return the updated list.

Raise an AssertionError if two GRO files are not semantically identical.

Delete reference files for the simple tests if they are not in use anymore.

Configure plugin. Plugin is enabled by default.

Nose hook that rewrites test descriptions.

Run insane to generate reference files for the simple regression tests. Run insane with the arguments listed in SIMPLE_TEST_CASES. The outpu

Return the built‑in lipids defined in ``lipids.dat``.

Return a stream for a given resource file in the module. The resource file has to be part of the module and its filenane given relative

Parse a string for a lipid or a solvent as given on the command line (MOLECULE[=NUMBER|:NUMBER]); where `=NUMBER` sets an absolute number of

Registers the commandline option, defaulting to enabled.

Nose hook that prints at the end of the tests.

Run insane and compare its output against a reference