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[alexxy/gromacs.git] / python_packaging / src / gmxapi / pycontext.cpp

diff --git a/python_packaging/src/gmxapi/pycontext.cpp b/python_packaging/src/gmxapi/pycontext.cpp
index 669991bbaddfdee00ea53c505933286a43ccbcad..4e53b96362a4789e9601f2fc558788295ab1b513 100644 (file)
--- a/python_packaging/src/gmxapi/pycontext.cpp
+++ b/python_packaging/src/gmxapi/pycontext.cpp
@@ -49,13 +49,13 @@ namespace py = pybind11;
 namespace gmxpy
 {
 
-void PyContext::setMDArgs(const MDArgs &mdArgs)
+void PyContext::setMDArgs(const MDArgs& mdArgs)
 {
     assert(context_);
     context_->setMDArgs(mdArgs);
 }
 
-std::shared_ptr<gmxapi::Session> PyContext::launch(const gmxapi::Workflow &work)
+std::shared_ptr<gmxapi::Session> PyContext::launch(const gmxapi::Workflow& work)
 {
     assert(context_);
     return context_->launch(work);
@@ -74,10 +74,8 @@ std::shared_ptr<gmxapi::Context> PyContext::get() const
 }
 
 PyContext::PyContext() :
-    context_ {std::make_shared<gmxapi::Context>()},
-workNodes_ {
-    std::make_shared<gmxapi::MDWorkSpec>()
-}
+    context_{ std::make_shared<gmxapi::Context>() },
+    workNodes_{ std::make_shared<gmxapi::MDWorkSpec>() }
 {
     assert(context_);
     assert(workNodes_);
@@ -89,31 +87,30 @@ void PyContext::addMDModule(pybind11::object force_object)
     // to our C++ object.
     if (py::hasattr(force_object, "bind"))
     {
-        auto spec   = getSpec();
-        auto holder = new gmxapi::MDHolder(spec);
+        auto spec     = getSpec();
+        auto holder   = new gmxapi::MDHolder(spec);
         holder->name_ = "pygmx holder";
-        auto deleter = [](PyObject *o) {
-                if (PyCapsule_IsValid(o, gmxapi::MDHolder_Name))
-                {
-                    auto holder_ptr = (gmxapi::MDHolder *) PyCapsule_GetPointer(o, gmxapi::MDHolder_Name);
-                    delete holder_ptr;
-                    // \todo double-check whether there is something we should do to invalidate a PyCapsule.
-                }
-            };
-        auto capsule = py::capsule(holder,
-                                   gmxapi::MDHolder_Name,
-                                   deleter);
-        py::object bind = force_object.attr("bind");
-        // py::capsule does not have bindings and does not implicitly convert to py::object
-        py::object obj = capsule;
-        bind(obj);
-    }
-    else
-    {
-        // Note: Exception behavior is likely to change.
-        // Ref: https://github.com/kassonlab/gmxapi/issues/125
-        throw py::value_error("Argument must provide a `bind` method.");
-    }
+        auto deleter  = [](PyObject* o) {
+            if (PyCapsule_IsValid(o, gmxapi::MDHolder_Name))
+            {
+                auto holder_ptr = (gmxapi::MDHolder*)PyCapsule_GetPointer(o, gmxapi::MDHolder_Name);
+                delete holder_ptr;
+                // \todo double-check whether there is something we should do to invalidate a PyCapsule.
+            }
+        };
+    };
+    auto       capsule = py::capsule(holder, gmxapi::MDHolder_Name, deleter);
+    py::object bind    = force_object.attr("bind");
+    // py::capsule does not have bindings and does not implicitly convert to py::object
+    py::object obj = capsule;
+    bind(obj);
+}
+else
+{
+    // Note: Exception behavior is likely to change.
+    // Ref: https://github.com/kassonlab/gmxapi/issues/125
+    throw py::value_error("Argument must provide a `bind` method.");
 }
+} // namespace gmxpy
 
 } // end namespace gmxpy