add GetStringVectProp() to SubstanceGroup class

[greglandrum]

If this isn't present then the DATAFIELDS property of SubstanceGroups cannot be accessed from Python

As an aside: we should come up with a more systematic (and automated) way of adding the GetXXXProp() methods to classes in Python

[ricrogz]

Looks good.

As an aside: we should come up with a more systematic (and automated) way of adding the GetXXXProp() methods to classes in Python.

Yes, that would be interesting.

[d-b-w]

Could we use boost::python inheritance and add these methods to wrapping for RDProps?

python::class_<SubstanceGroup, boost::shared_ptr<SubstanceGroup>, bases<RDProps>>(

[bp-kelley]

RDProps at one point wasn't a separated class so we haven't wrapped it yet. This is my preferred approach.

We do have easy to use templates currently though. the Mol in the names is an artifact. We don't have a template for GetPropNames yet. Make sure you implement GetPropsAsDict, this is a useful function that only lives in python.

         .def("HasProp", MolHasProp<SubstanceGroup>,
             "Queries a substance group to see if a particular property has been "
             "assigned.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to check for (a string).\n")
        .def("GetProp", GetProp<SubstanceGroup, std::string>,
             "Returns the value of the property.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to return (a string).\n\n"
             "  RETURNS: a string\n\n"
             "  NOTE:\n"
             "    - If the property has not been set, a KeyError exception "
             "will be raised.\n")
        .def("GetDoubleProp", GetProp<SubstanceGroup, double>,
             "Returns the double value of the property if possible.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to return (a string).\n\n"
             "  RETURNS: a double\n\n"
             "  NOTE:\n"
             "    - If the property has not been set, a KeyError exception "
             "will be raised.\n")
        .def("GetIntProp", GetProp<SubstanceGroup, int>,
             "Returns the integer value of the property if possible.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to return (a string).\n\n"
             "  RETURNS: an integer\n\n"
             "  NOTE:\n"
             "    - If the property has not been set, a KeyError exception "
             "will be raised.\n")
        .def("GetUnsignedProp", GetProp<SubstanceGroup, unsigned int>,
             "Returns the unsigned int value of the property if possible.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to return (a string).\n\n"
             "  RETURNS: an unsigned integer\n\n"
             "  NOTE:\n"
             "    - If the property has not been set, a KeyError exception "
             "will be raised.\n")
        .def("GetBoolProp", GetProp<SubstanceGroup, bool>,
             "Returns the Bool value of the property if possible.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to return (a string).\n\n"
             "  RETURNS: a bool\n\n"
             "  NOTE:\n"
             "    - If the property has not been set, a KeyError exception "
             "will be raised.\n")
        .def("ClearProp", MolClearProp<SubstanceGroup>,
             "Removes a property from the molecule.\n\n"
             "  ARGUMENTS:\n"
             "    - key: the name of the property to clear (a string).\n")

        .def("ClearComputedProps", MolClearComputedProps<SubstanceGroup>,
             "Removes all computed properties from the molecule.\n\n")

        .def("GetPropsAsDict", GetPropsAsDict<SubstanceGroup>,
             (python::arg("self"), python::arg("includePrivate") = false,
              python::arg("includeComputed") = false),
             "Returns a dictionary populated with the molecules properties.\n"
             " n.b. Some properties are not able to be converted to python "
             "types.\n\n"
             "  ARGUMENTS:\n"
             "    - includePrivate: (optional) toggles inclusion of private "
             "properties in the result set.\n"
             "                      Defaults to False.\n"
             "    - includeComputed: (optional) toggles inclusion of computed "
             "properties in the result set.\n"
             "                      Defaults to False.\n\n"
             "  RETURNS: a dictionary\n")