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method(u,group=oxygens,molecular=False,alpha=2.5,_noextrapoints=True)\n-    ...     #interface.writepdb(method.__name__+'.ref.pdb') ; # debug\n-    ...     ref_box = np.copy(u.dimensions)\n-    ...     ref_ind   = np.sort(np.copy(interface.atoms.indices))\n-    ...     ref_pos   = np.copy(interface.atoms.positions)\n-    ...\n-    ...     u.atoms.positions = np.copy(np.roll(positions,1,axis=1))\n-    ...     box = np.roll(ref_box[:3],1)\n-    ...     ref_box[:3] =  box\n-    ...     u.dimensions = ref_box\n-    ...     interface = method(u,group=oxygens,molecular=False,alpha=2.5,_noextrapoints=True)\n-    ...     ind = np.sort(interface.atoms.indices)\n-    ...     #interface.writepdb(method.__name__+'.pdb') ; # debug\n-    ...     cond = (ref_ind == ind )\n-    ...     if np.all(cond) ==  False:\n-    ...         miss1 = (np.in1d(ref_ind,ind)==False).sum()\n-    ...         miss2 = (np.in1d(ind,ref_ind)==False).sum()\n-    ...         percent = (miss1 + miss2)*0.5/len(ref_ind) * 100.\n-    ...         if percent > 2: # this should be 0 for ITIM, and < 5\n-    ...                         # for GITIM, with this config+alpha\n-    ...             print miss1+miss2\n-    ...             print  \" differences in indices in method\",\n-    ...             print  method.__name__, \" == \",percent,\" %\"\n+This is a collection of test to check\n+that the algorithms are behaving properly if\n+the interface is rotated in space.\n \n-    >>> del interface\n-    >>> del u\n+>>> # TEST:1, ITIM+GITIM, flat interface\n+>>> import MDAnalysis as mda\n+>>> import pytim\n+>>> import numpy as np\n+>>> from pytim.datafiles import WATER_GRO\n+>>>\n+>>> for method in [pytim.ITIM , pytim.GITIM] :\n+...     u = mda.Universe(WATER_GRO)\n+...     positions = np.copy(u.atoms.positions)\n+...     oxygens = u.select_atoms('name OW')\n+...     interface = method(u,group=oxygens,molecular=False,alpha=2.5,_noextrapoints=True)\n+...     #interface.writepdb(method.__name__+'.ref.pdb') ; # 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