Merge pull request #1236 from peastman/parameters

Added Context::getParameters()

openmmapi/include/openmm/Context.h

@@ -9,7 +9,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2008-2013 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2015 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -165,6 +165,11 @@ public:
      * @param randomSeed     the random number seed to use when selecting velocities
      */
     void setVelocitiesToTemperature(double temperature, int randomSeed=osrngseed());
+    /**
+     * Get all adjustable parameters that have been defined by Force objects in the System, along
+     * with their current values.
+     */
+    const std::map<std::string, double>& getParameters() const;
     /**
      * Get the value of an adjustable parameter defined by a Force object in the System.
      * 

openmmapi/src/Context.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2008-2013 Stanford University and the Authors.      *
+ * Portions copyright (c) 2008-2015 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -201,6 +201,10 @@ void Context::setVelocitiesToTemperature(double temperature, int randomSeed) {
     impl->applyVelocityConstraints(1e-5);
 }
 
+const map<string, double>& Context::getParameters() const {
+    return impl->getParameters();
+}
+
 double Context::getParameter(const string& name) const {
     return impl->getParameter(name);
 }

wrappers/python/src/swig_doxygen/swigInputConfig.py

@@ -308,6 +308,7 @@ UNITS = {
 ("AmoebaWcaDispersionForce",              "getShctd")                                      :  ( None, ()),
 
 ("Context", "getParameter") : (None, ()),
+("Context", "getParameters") : (None, ()),
 ("Context", "getMolecules") : (None, ()),
 ("CMAPTorsionForce", "getMapParameters") : (None, (None, 'unit.kilojoule_per_mole')),
 ("CMAPTorsionForce", "getTorsionParameters") : (None, ()),