Add relative_length_tolerance and absolute_angle_tolerance_degree to SpaceGroupExplorer::Run() and RunAll().

Small doc correction.

Author: vincefn

doc/manual/source/index.rst

@@ -19,8 +19,8 @@ modeling initiative at the Brookhaven National Laboratory.
 
 Further developments including the ability to index and refine
 powder patterns, solve and display crystal structures, using the
-global optimisation and least squares algorithms (see the notebooks
-in the examples) are provided by Vincent Favre-Nicolin (ESRF).
+global optimisation and least squares algorithms (see the
+:doc:`examples/index`) are provided by Vincent Favre-Nicolin (ESRF).
 
 For a complete list of contributors, see
 https://github.com/diffpy/pyobjcryst/graphs/contributors.

src/extensions/powderpattern_ext.cpp

@@ -342,14 +342,17 @@ void wrap_powderpattern()
     //,init<PowderPatternDiffraction *>(bp::arg("powdiff")),with_custodian_and_ward_postcall<1,2>()
     class_<SpaceGroupExplorer>("SpaceGroupExplorer", init<PowderPatternDiffraction * >
             ((bp::arg("powdiff"))) [with_custodian_and_ward<1,2>()])
-        .def("Run", (SPGScore (SpaceGroupExplorer::*)(const string&, const bool, const bool, const bool, const bool))
+        .def("Run", (SPGScore (SpaceGroupExplorer::*)(const string&, const bool, const bool, const bool, const bool,
+        const double, const double))
              &SpaceGroupExplorer::Run,
              (bp::arg("spg"), bp::arg("fitprofile")=false, bp::arg("verbose")=false,
-             bp::arg("restore_orig")=false, bp::arg("update_display")=false))
+             bp::arg("restore_orig")=false, bp::arg("update_display")=false,
+             bp::arg("relative_length_tolerance")=0.01, bp::arg("absolute_angle_tolerance_degree")=1))
         .def("RunAll", &SpaceGroupExplorer::RunAll,
              (bp::arg("fitprofile_all")=false, bp::arg("verbose")=true,
              bp::arg("keep_best")=true, bp::arg("update_display")=true,
-             bp::arg("fitprofile_p1")=true))
+             bp::arg("fitprofile_p1")=true, bp::arg("relative_length_tolerance")=0.01,
+             bp::arg("absolute_angle_tolerance_degree")=1))
         .def("GetScores", &_GetScores)
         ;