Replace prepare

glotzerlab · Oct 26, 2024 · 2cc36c2 · 2cc36c2
1 parent f59ce23
commit 2cc36c2
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Showing 2 changed files with 9 additions and 6 deletions.
diff --git a/freud/order/Cubatic.cc b/freud/order/Cubatic.cc
@@ -236,11 +236,13 @@ tensor4 Cubatic::calculateGlobalTensor(quat<float>* orientations) const
 void Cubatic::compute(quat<float>* orientations, unsigned int num_orientations)
 {
     m_n = num_orientations;
-    m_particle_order_parameter.prepare(m_n);
+    // m_particle_order_parameter.prepare(m_n);
+    m_particle_order_parameter = std::make_shared<util::ManagedArray<float>>(std::vector<size_t> {m_n});
 
     // Calculate the per-particle tensor
     tensor4 global_tensor = calculateGlobalTensor(orientations);
-    m_global_tensor.prepare({3, 3, 3, 3});
+    // m_global_tensor.prepare({3, 3, 3, 3});
+    m_global_tensor = std::make_shared<util::ManagedArray<float>>(std::vector<size_t> {3, 3, 3, 3});
     global_tensor.copyToManagedArray(m_global_tensor);
 
     // The paper recommends using a Newton-Raphson scheme to optimize the order
@@ -329,7 +331,8 @@ void Cubatic::compute(quat<float>* orientations, unsigned int num_orientations)
         }
     }
 
-    m_cubatic_tensor.prepare({3, 3, 3, 3});
+    // m_cubatic_tensor.prepare({3, 3, 3, 3});
+    m_cubatic_tensor = std::make_shared<util::ManagedArray<float>>(std::vector<size_t> {3, 3, 3, 3});
     p_cubatic_tensor[max_idx].copyToManagedArray(m_cubatic_tensor);
     m_cubatic_orientation = p_cubatic_orientation[max_idx];
     m_cubatic_order_parameter = p_cubatic_order_parameter[max_idx];

diff --git a/freud/order/Cubatic.h b/freud/order/Cubatic.h
@@ -180,10 +180,10 @@ class Cubatic
     tensor4 m_gen_r4_tensor; //!< The sum of various products of Kronecker deltas that is stored as a member
                              //!< for convenient reuse.
 
-    util::ManagedArray<float> m_particle_order_parameter; //!< The per-particle value of the order parameter.
-    util::ManagedArray<float>
+    std::shared_ptr<util::ManagedArray<float>> m_particle_order_parameter; //!< The per-particle value of the order parameter.
+    std::shared_ptr<util::ManagedArray<float>>
         m_global_tensor; //!< The system-averaged homogeneous tensor encoding all particle orientations.
-    util::ManagedArray<float> m_cubatic_tensor; //!< The output tensor computed via simulated annealing.
+    std::shared_ptr<util::ManagedArray<float>> m_cubatic_tensor; //!< The output tensor computed via simulated annealing.
 
     std::array<vec3<float>, 3>
         m_system_vectors; //!< The global coordinate system, always use a simple Euclidean basis.