feat: helper to convert python sequences to CrystVector

* GetProfile now accepts numpy arrays as the `x` argument

Author: ezatterin

src/extensions/reflectionprofile_ext.cpp

@@ -22,6 +22,8 @@
 #include <boost/python/pure_virtual.hpp>
 #undef B0
 
+#include "helpers.hpp" // assignCrystVector helper for numpy/sequence inputs
+
 #include <iostream>
 
 #include <ObjCryst/ObjCryst/ReflectionProfile.h>
@@ -72,6 +74,16 @@ namespace
         }
     };
 
+    // Accept python sequences/ndarrays for x and forward to the C++ API.
+    CrystVector_REAL _GetProfile(
+        const ReflectionProfile &rp, bp::object x, const REAL xcenter,
+        const REAL h, const REAL k, const REAL l)
+    {
+        CrystVector_REAL cvx;
+        assignCrystVector(cvx, x);
+        return rp.GetProfile(cvx, xcenter, h, k, l);
+    }
+
 } // namespace
 
 void wrap_reflectionprofile()
@@ -83,9 +95,13 @@ void wrap_reflectionprofile()
              return_value_policy<manage_new_object>())
         .def(
             "GetProfile",
-            pure_virtual((CrystVector_REAL (ReflectionProfile::*)(const CrystVector_REAL &, REAL, REAL, REAL, REAL) const) & ReflectionProfile::GetProfile),
+             pure_virtual((CrystVector_REAL (ReflectionProfile::*)(const CrystVector_REAL &, REAL, REAL, REAL, REAL) const) & ReflectionProfile::GetProfile),
             (bp::arg("x"), bp::arg("xcenter"), bp::arg("h"),
              bp::arg("k"), bp::arg("l")))
+        .def(
+            "GetProfile", &_GetProfile,
+            (bp::arg("x"), bp::arg("xcenter"), bp::arg("h"), bp::arg("k"),
+             bp::arg("l")))
         .def("GetFullProfileWidth",
              pure_virtual((REAL (ReflectionProfile::*)(const REAL, const REAL, const REAL, const REAL, const REAL) const) & ReflectionProfile::GetFullProfileWidth),
              (bp::arg("relativeIntensity"), bp::arg("xcenter"),