Get the out of plane bend taylor coefficient units sorted out.

plugins/amoeba/openmmapi/include/openmm/AmoebaOutOfPlaneBendForce.h

@@ -74,7 +74,7 @@ public:
      * 
      * @return global cubicK term
      */
-    double getAmoebaGlobalOutOfPlaneBendCubic(void) const;
+    double getAmoebaGlobalOutOfPlaneBendCubic() const;
 
     /** 
      * Set the global cubic term
@@ -88,7 +88,7 @@ public:
      * 
      * @return global  quartic term
      */
-    double getAmoebaGlobalOutOfPlaneBendQuartic(void) const;
+    double getAmoebaGlobalOutOfPlaneBendQuartic() const;
 
     /** 
      * Set the global pentic term
@@ -102,7 +102,7 @@ public:
      * 
      * @return global penticK term
      */
-    double getAmoebaGlobalOutOfPlaneBendPentic(void) const;
+    double getAmoebaGlobalOutOfPlaneBendPentic() const;
 
     /** 
      * Set the global sextic term
@@ -116,7 +116,7 @@ public:
      * 
      * @return global sexticK term
      */
-    double getAmoebaGlobalOutOfPlaneBendSextic(void) const;
+    double getAmoebaGlobalOutOfPlaneBendSextic() const;
 
     /**
      * Add an out-of-plane bend term to the force field.

wrappers/python/src/swig_doxygen/swigInputBuilder.py

@@ -481,7 +481,6 @@ class SwigInputBuilder:
                     sys.stdout.write("%s.%s() returns %s\n" %
                                      (shortClassName, methName, valueUnits[0]))
                     if len(valueUnits[1])>0:
-                        print('IT IS GREATER THAN 1')
                         addText = "%s%sval[%d]=unit.Quantity(val[%d], %s)\n" \
                                  % (addText, INDENT,
                                     index, index,
@@ -492,10 +491,10 @@ class SwigInputBuilder:
                                  % (addText, INDENT, valueUnits[0])
 
                 for vUnit in valueUnits[1]:
-                        if vUnit!=None:
-                            addText = "%s%sval[%s]=unit.Quantity(val[%s], %s)\n" \
+                    if vUnit is not None:
+                        addText = "%s%sval[%s]=unit.Quantity(val[%s], %s)\n" \
                                      % (addText, INDENT, index, index, vUnit)
-                        index+=1
+                    index+=1
 
                 if key in self.configModule.STEAL_OWNERSHIP:
                     for argNum in self.configModule.STEAL_OWNERSHIP[key]:

wrappers/python/src/swig_doxygen/swigInputConfig.py

@@ -272,7 +272,7 @@ UNITS = {
 ("AmoebaOutOfPlaneBendForce",            "getAmoebaGlobalOutOfPlaneBendQuartic")          :  ( '1/unit.radian**2',()),
 ("AmoebaOutOfPlaneBendForce",            "getAmoebaGlobalOutOfPlaneBendPentic")           :  ( '1/unit.radian**3',()),
 ("AmoebaOutOfPlaneBendForce",            "getAmoebaGlobalOutOfPlaneBendSextic")           :  ( '1/unit.radian**4',()),
-("AmoebaOutOfPlaneBendForce",            "getOutOfPlaneBendParameters")                   :  ( None, (None, None, None, None, 'unit.kilojoule_per_mole')),
+("AmoebaOutOfPlaneBendForce",            "getOutOfPlaneBendParameters")                   :  ( None, (None, None, None, None, 'unit.kilojoule_per_mole/unit.radians**2')),
 
 ("AmoebaPiTorsionForce",                  "getNumPiTorsions")                              :  ( None, ()),
 ("AmoebaPiTorsionForce",                  "getPiTorsionParameters")                        :  ( None, (None, None, None, None, None,  None, 'unit.kilojoule_per_mole')),

wrappers/python/tests/TestAPIUnits.py

@@ -711,16 +711,16 @@ class TestAPIUnits(unittest.TestCase):
         self.assertEqual(j, 1)
         self.assertEqual(k, 2)
         self.assertEqual(l, 3)
-        self.assertEqual(tk, 1.0*kilojoules_per_mole)
-        self.assertIs(tk.unit, kilojoules_per_mole)
+        self.assertEqual(tk, 1.0*kilojoules_per_mole/radians**2)
+        self.assertIs(tk.unit, kilojoules_per_mole/radians**2)
 
         i, j, k, l, tk = force.getOutOfPlaneBendParameters(1)
         self.assertEqual(i, 1)
         self.assertEqual(j, 2)
         self.assertEqual(k, 3)
         self.assertEqual(l, 4)
-        self.assertEqual(tk, 1.0*kilocalorie_per_mole)
-        self.assertIs(tk.unit, kilojoules_per_mole)
+        self.assertEqual(tk, 1.0*kilocalorie_per_mole/radians**2)
+        self.assertIs(tk.unit, kilojoules_per_mole/radians**2)
 
 if __name__ == '__main__':
     unittest.main()