Merge pull request #1870 from peastman/getintegrator

Context.getIntegrator() returns the original Python object

wrappers/python/src/swig_doxygen/swigInputConfig.py

@@ -90,6 +90,7 @@ SKIP_METHODS = [('State', 'getPositions'),
                 ('UpdateTimeKernel',),
                 ('VdwInfo',),
                 ('WcaDispersionInfo',),
+                ('Context',  'getIntegrator'),
                 ('Context',  'createCheckpoint'),
                 ('Context',  'loadCheckpoint'),
                 ('CudaPlatform',),
@@ -111,6 +112,7 @@ SKIP_METHODS = [('State', 'getPositions'),
                 ('LocalCoordinatesSite',  'getOriginWeights', 0),
                 ('LocalCoordinatesSite',  'getXWeights', 0),
                 ('LocalCoordinatesSite',  'getYWeights', 0),
+                ('CompoundIntegrator', 'getIntegrator'),
 ]
 
 # The build script assumes method args that are non-const references are
@@ -147,7 +149,6 @@ STEAL_OWNERSHIP = {("Platform", "registerPlatform") : [0],
                    ("CustomManyParticleForce", "addTabulatedFunction") : [1],
                    ("CustomCVForce", "addTabulatedFunction") : [1],
                    ("CustomCVForce", "addCollectiveVariable") : [1],
-                   ("CompoundIntegrator", "addIntegrator") : [0],
 }
 
 

wrappers/python/src/swig_doxygen/swig_lib/python/extend.i

@@ -6,6 +6,9 @@
 %extend OpenMM::Context {
 
   %pythoncode %{
+    def getIntegrator(self):
+        return self._integrator
+
     def getState(self, getPositions=False, getVelocities=False,
                  getForces=False, getEnergy=False, getParameters=False,
                  getParameterDerivatives=False, enforcePeriodicBox=False, groups=-1):
@@ -202,6 +205,13 @@ Parameters:
   %}
 }
 
+%extend OpenMM::CompoundIntegrator {
+  %pythoncode %{
+    def getIntegrator(self, index):
+        return self._integrators[index]
+  %}
+}
+
 %extend OpenMM::System {
   %pythoncode %{
     def __getstate__(self):

wrappers/python/src/swig_doxygen/swig_lib/python/pythoncode.i

@@ -28,6 +28,14 @@ from simtk.openmm.vec3 import Vec3
     self._integrator = args[1]
 %}
 
+%pythonappend OpenMM::CompoundIntegrator::CompoundIntegrator %{
+    self._integrators = []
+%}
+
+%pythonprepend OpenMM::CompoundIntegrator::addIntegrator %{
+    self._integrators.append(integrator)
+%}
+
 %pythonprepend OpenMM::AmoebaAngleForce::addAngle %{
     try:
         length = args[3]