Python wrapping code for gmxapi mdrun bindings.

[alexxy/gromacs.git] / python_packaging / src / gmxapi / __init__.py

diff --git a/python_packaging/src/gmxapi/__init__.py b/python_packaging/src/gmxapi/__init__.py
index 1f6177cb2b9dbb3fdf01f0cb4bf47bd152a3c629..88a9151990a0b50a2cd9cfdb39fd1ef70a1a428e 100644 (file)
--- a/python_packaging/src/gmxapi/__init__.py
+++ b/python_packaging/src/gmxapi/__init__.py
@@ -48,6 +48,7 @@ __all__ = ['commandline_operation',
            'logger',
            'logical_not',
            'make_constant',
+           'mdrun',
            'ndarray',
            'subgraph',
            'while_loop',
@@ -64,6 +65,7 @@ from .datamodel import NDArray
 from .datamodel import ndarray
 from .operation import concatenate_lists, join_arrays, logical_not, make_constant
 from .commandline import commandline_operation
+from .simulation import mdrun
 # TODO: decide where this lives
 from .operation import subgraph
 # TODO: decide where this lives