lammps.py_initial_commit

MDAnalysis · Feb 15, 2024 · 70f9cbb · 70f9cbb
1 parent e189a90
commit 70f9cbb
Showing 1 changed file with 20 additions and 0 deletions.
diff --git a/package/MDAnalysis/coordinates/LAMMPS.py b/package/MDAnalysis/coordinates/LAMMPS.py
@@ -66,16 +66,36 @@
 :class:`~MDAnalysis.topology.LAMMPSParser.DATAParser`) together with a
 LAMMPS DCD with "*real*" provide the keyword *format="LAMMPS*"::
 
+..testsetup:: 
+    
+    import MDAnalysis
+
+..doctest::    
+
     >>> u = MDAnalysis.Universe("lammps.data", "lammps_real.dcd", format="LAMMPS")
 
 If the trajectory uses *units nano* then use ::
 
+.. testsetup:: 
+    
+    import MDAnalysis
+
+.. doctest::
+
     >>> u = MDAnalysis.Universe("lammps.data", "lammps_nano.dcd", format="LAMMPS",
     ...                          lengthunit="nm", timeunit="ns")
 
 To scan through a trajectory to find a desirable frame and write to a LAMMPS
 data file,
 
+.. testsetup:: 
+    
+    import MDAnalysis
+
+.. doctest::
+
+>>> u = MDAnalysis.Universe("lammps.data", "lammps_nano.dcd", format="LAMMPS",
+...                          lengthunit="nm", timeunit="ns")
 >>> for ts in u.trajectory:
 ...     # analyze frame
 ...     if take_this_frame == True: