Added DrudeSCFIntegrator to the Python wrappers

plugins/drude/openmmapi/include/OpenMMDrude.h

+#ifndef OPENMM_DRUDE_H_
+#define OPENMM_DRUDE_H_
+
+/* -------------------------------------------------------------------------- *
+ *                               OpenMMDrude                                  *
+ * -------------------------------------------------------------------------- *
+ * This is part of the OpenMM molecular simulation toolkit originating from   *
+ * Simbios, the NIH National Center for Physics-Based Simulation of           *
+ * Biological Structures at Stanford, funded under the NIH Roadmap for        *
+ * Medical Research, grant U54 GM072970. See https://simtk.org.               *
+ *                                                                            *
+ * Portions copyright (c) 2013 Stanford University and the Authors.           *
+ * Authors: Peter Eastman                                                     *
+ * Contributors:                                                              *
+ *                                                                            *
+ * Permission is hereby granted, free of charge, to any person obtaining a    *
+ * copy of this software and associated documentation files (the "Software"), *
+ * to deal in the Software without restriction, including without limitation  *
+ * the rights to use, copy, modify, merge, publish, distribute, sublicense,   *
+ * and/or sell copies of the Software, and to permit persons to whom the      *
+ * Software is furnished to do so, subject to the following conditions:       *
+ *                                                                            *
+ * The above copyright notice and this permission notice shall be included in *
+ * all copies or substantial portions of the Software.                        *
+ *                                                                            *
+ * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
+ * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,   *
+ * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL    *
+ * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,    *
+ * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR      *
+ * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE  *
+ * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
+ * -------------------------------------------------------------------------- */
+
+#include "openmm/DrudeForce.h"
+#include "openmm/DrudeLangevinIntegrator.h"
+#include "openmm/DrudeSCFIntegrator.h"
+
+#endif /*OPENMM_DRUDE_H_*/

wrappers/python/src/swig_doxygen/OpenMM.i

@@ -45,8 +45,7 @@ namespace std {
 #include "OpenMM.h"
 #include "OpenMMAmoeba.h"
 #include "openmm/RPMDIntegrator.h"
-#include "openmm/DrudeForce.h"
-#include "openmm/DrudeLangevinIntegrator.h"
+#include "OpenMMDrude.h"
 #include "openmm/serialization/SerializationNode.h"
 #include "openmm/serialization/SerializationProxy.h"
 #include "openmm/serialization/XmlSerializer.h"

wrappers/python/src/swig_doxygen/swigInputConfig.py

@@ -141,6 +141,7 @@ SKIP_METHODS = [('State',),
                 ('DrudeForceImpl',),
                 ('CalcDrudeForceKernel',),
                 ('IntegrateDrudeLangevinStepKernel',),
+                ('IntegrateDrudeSCFStepKernel',),
                 ('XmlSerializer',  'serialize'),
                 ('XmlSerializer',  'deserialize'),
 ]
@@ -444,5 +445,6 @@ UNITS = {
 ("System", "getVirtualSite") : (None, ()),
 ("DrudeLangevinIntegrator", "getDrudeTemperature") : ("unit.kelvin", ()),
 ("DrudeLangevinIntegrator", "getDrudeFriction") : ("1/unit.picosecond", ()),
+("DrudeSCFIntegrator", "getMinimizationErrorTolerance") : ("unit.kilojoules_per_mole/unit.nanometer", ()),
 }