From 607703d259ac8e64c1dfaccf1488d42e286a6bc2 Mon Sep 17 00:00:00 2001
From: Mark Messner <mark.messner@gmail.com>
Date: Thu, 10 Nov 2022 12:02:40 -0500
Subject: [PATCH] Need a way to get active orientations back out of models

---
 include/cp/batch.h          |  3 +++
 include/cp/polycrystal.h    |  1 +
 src/cp/batch.cxx            | 12 ++++++++++++
 src/cp/polycrystal.cxx      |  9 +++++++++
 src/cp/polycrystal_wrap.cxx |  7 ++++++-
 5 files changed, 31 insertions(+), 1 deletion(-)

diff --git a/include/cp/batch.h b/include/cp/batch.h
index 498b5edc..351af660 100644
--- a/include/cp/batch.h
+++ b/include/cp/batch.h
@@ -27,6 +27,9 @@ NEML_EXPORT void set_orientation_passive_batch(SingleCrystalModel & model, size_
 NEML_EXPORT void get_orientation_passive_batch(SingleCrystalModel & model, size_t n,
                                   double * const hist,
                                   std::vector<Orientation> & orientations);
+NEML_EXPORT void get_orientation_active_batch(SingleCrystalModel & model, size_t n,
+                                  double * const hist,
+                                  std::vector<Orientation> & orientations);
 
 } // namespace neml
 
diff --git a/include/cp/polycrystal.h b/include/cp/polycrystal.h
index 6244d5e5..dc17b1ff 100644
--- a/include/cp/polycrystal.h
+++ b/include/cp/polycrystal.h
@@ -33,6 +33,7 @@ class NEML_EXPORT PolycrystalModel: public NEMLModel_ldi
   const double * w(const double * const store, size_t i) const;
 
   virtual std::vector<Orientation> orientations(double * const store) const;
+  virtual std::vector<Orientation> orientations_active(double * const store) const;
 
  protected:
   std::shared_ptr<SingleCrystalModel> model_;
diff --git a/src/cp/batch.cxx b/src/cp/batch.cxx
index ab3d8ee3..09923470 100644
--- a/src/cp/batch.cxx
+++ b/src/cp/batch.cxx
@@ -70,4 +70,16 @@ void get_orientation_passive_batch(SingleCrystalModel & model, size_t n,
   }
 }
 
+void get_orientation_active_batch(SingleCrystalModel & model, size_t n,
+                                  double * const hist,
+                                  std::vector<Orientation> & orientations)
+{
+  orientations.resize(n);
+  size_t nh = model.nstore();
+
+  for (size_t i=0; i<n; i++) {
+    orientations[i] = model.get_active_orientation(&hist[i*nh]);
+  }
+}
+
 } // namespace neml
diff --git a/src/cp/polycrystal.cxx b/src/cp/polycrystal.cxx
index 9229bea2..38862659 100644
--- a/src/cp/polycrystal.cxx
+++ b/src/cp/polycrystal.cxx
@@ -111,6 +111,15 @@ std::vector<Orientation> PolycrystalModel::orientations(double * const store) co
   return res;
 }
 
+std::vector<Orientation> PolycrystalModel::orientations_active(double * const store) const
+{
+  std::vector<Orientation> res;
+  
+  get_orientation_active_batch(*model_, n(), 
+                                history(store, 0), res);
+  return res;
+}
+
 TaylorModel::TaylorModel(ParameterSet & params) :
     PolycrystalModel(params)
 {
diff --git a/src/cp/polycrystal_wrap.cxx b/src/cp/polycrystal_wrap.cxx
index 8c39a3e7..b89932f9 100644
--- a/src/cp/polycrystal_wrap.cxx
+++ b/src/cp/polycrystal_wrap.cxx
@@ -21,7 +21,12 @@ PYBIND11_MODULE(polycrystal, m) {
            [](PolycrystalModel & m, py::array_t<double, py::array::c_style> h) -> std::vector<Orientation>
            {
             return m.orientations(arr2ptr<double>(h));
-           }, "Return the current vector of orientations")
+           }, "Return the current vector of orientations in the passive convention")
+      .def("orientations_active", 
+           [](PolycrystalModel & m, py::array_t<double, py::array::c_style> h) -> std::vector<Orientation>
+           {
+            return m.orientations_active(arr2ptr<double>(h));
+           }, "Return the current vector of orientations in the active convention")
     ;
 
   py::class_<TaylorModel, PolycrystalModel, std::shared_ptr<TaylorModel>>(m, "TaylorModel")