pre-commit

src/integrate.py

@@ -4,17 +4,17 @@
 """Example Shape Integrator."""
 
 # Import the C++ module
-from . import _template
-
 import hoomd
 
+from . import _template
+
 
 class MySphere(hoomd.hpmc.integrate.HPMCIntegrator):
     """Example shape integrator."""
 
     # set static class data
     _ext_module = _template
-    _cpp_cls = "IntegratorHPMCMonoMySphere"
+    _cpp_cls = 'IntegratorHPMCMonoMySphere'
 
     def __init__(
         self,
@@ -30,15 +30,15 @@ def __init__(
         )
 
         typeparam_shape = hoomd.data.typeparam.TypeParameter(
-            "shape",
-            type_kind="particle_types",
+            'shape',
+            type_kind='particle_types',
             param_dict=hoomd.data.parameterdicts.TypeParameterDict(
                 radius=float, ignore_statistics=False, orientable=False, len_keys=1
             ),
         )
         self._add_typeparam(typeparam_shape)
 
-    @hoomd.logging.log(category="object", requires_run=True)
+    @hoomd.logging.log(category='object', requires_run=True)
     def type_shapes(self):
         """list[dict]: Description of shapes in ``type_shapes`` format."""
         return super()._return_type_shapes()

src/module.cc

@@ -3,10 +3,10 @@
 
 // TODO: Include the header files of classes that will be exported to Python.
 
-#include <pybind11/pybind11.h>
 #include "hoomd/hpmc/ComputeFreeVolume.h"
 #include "hoomd/hpmc/IntegratorHPMC.h"
 #include "hoomd/hpmc/IntegratorHPMCMono.h"
+#include <pybind11/pybind11.h>
 
 #include "hoomd/hpmc/ComputeSDF.h"
 #include "hoomd/hpmc/ShapeUnion.h"
@@ -36,7 +36,7 @@ namespace hpmc
 // CMakeLists.txt), prefixed with an underscore.
 PYBIND11_MODULE(_template, m)
     {
-        // TODO: Call export_Class(m) for each C++ class to be exported to Python.
+    // TODO: Call export_Class(m) for each C++ class to be exported to Python.
     export_IntegratorHPMCMono<ShapeMySphere>(m, "IntegratorHPMCMonoMySphere");
     export_ComputeFreeVolume<ShapeMySphere>(m, "ComputeFreeVolumeMySphere");
     export_ComputeSDF<ShapeMySphere>(m, "ComputeSDFMySphere");
@@ -50,13 +50,13 @@ PYBIND11_MODULE(_template, m)
         .def("asDict", &MySphereParams::asDict);
 
 #ifdef ENABLE_HIP
-        // TODO: Call export_ClassGPU(m) for each GPU enabled C++ class to be exported
-        // to Python.
+    // TODO: Call export_ClassGPU(m) for each GPU enabled C++ class to be exported
+    // to Python.
     export_IntegratorHPMCMonoGPU<ShapeMySphere>(m, "IntegratorHPMCMonoMySphereGPU");
     export_ComputeFreeVolumeGPU<ShapeMySphere>(m, "ComputeFreeVolumeMySphereGPU");
-    export_UpdaterGCAGPU<ShapeMySphere>(m, "UpdaterGCAMySphereGPU");        
+    export_UpdaterGCAGPU<ShapeMySphere>(m, "UpdaterGCAMySphereGPU");
 #endif
     }
 
-    } // end namespace md
+    } // namespace hpmc
     } // end namespace hoomd

src/pytest/test_mysphere.py

@@ -5,15 +5,15 @@
 
 import hoomd.template
 
-
 # TODO: rewrite the unit tests to verify that your shape functions correctly.
 
+
 def test_attach(simulation_factory, two_particle_snapshot_factory):
     """Ensure that an integrator can be created with the shape."""
     mc = hoomd.template.MySphere()
-    mc.shape["A"] = dict(radius=0.5)
-    mc.d["A"] = 0.1
-    mc.a["A"] = 0.1
+    mc.shape['A'] = dict(radius=0.5)
+    mc.d['A'] = 0.1
+    mc.a['A'] = 0.1
     sim = simulation_factory(two_particle_snapshot_factory())
     sim.operations.integrator = mc