tadvector.hpp

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// Copyright (c) 2010-2024, Lawrence Livermore National Security, LLC. Produced
// at the Lawrence Livermore National Laboratory. All Rights reserved. See files
// LICENSE and NOTICE for details. LLNL-CODE-806117.
//
// This file is part of the MFEM library. For more information and source code
// availability visit https://mfem.org.
//
// MFEM is free software; you can redistribute it and/or modify it under the
// terms of the BSD-3 license. We welcome feedback and contributions, see file
// CONTRIBUTING.md for details.
 
#ifndef MFEM_TADVECTOR
#define MFEM_TADVECTOR
 
#include "mfem.hpp"
 
#include <cmath>
#include <iostream>
#include <limits>
#if defined(_MSC_VER) && (_MSC_VER < 1800)
#include <float.h>
#define isfinite _finite
#endif
 
namespace mfem
{
/// Templated vector data type.
/** The main goal of the TAutoDiffVector class is to serve as a data container
    for representing vectors in classes, methods, and functions utilized with
    automatic differentiation (AD). The functionality/interface is copied from
    the standard MFEM dense vector mfem::Vector. The basic idea is to utilize
    the templated vector class in combination with AD during the development
    phase. The AD parts can be replaced with optimized code once the initial
    development of the application is complete. The common interface between
    TAutoDiffVector and Vector will ease the transition from AD to
    hand-optimized code as it does not require a change in the interface or the
    code structure. TAutoDiffVector is intended to be utilized for dense serial
    vectors. */
template<typename dtype>
class TAutoDiffVector
{
protected:
   dtype *data;
   int size;
   int capacity;
 
public:
   /// Default constructor for Vector. Sets size = 0 and data = NULL.
   TAutoDiffVector()
   {
      data = nullptr;
      size = 0;
      capacity = 0;
   }
 
   /// Copy constructor. Allocates a new data array and copies the data.
   TAutoDiffVector(const TAutoDiffVector<dtype> &v)
   {
      const int s = v.Size();
      if (s > 0)
      {
         size = s;
         data = new dtype[s];
         capacity = s;
         for (int i = 0; i < s; i++)
         {
            data[i] = v[i];
         }
      }
      else
      {
         size = 0;
         capacity = 0;
         data = nullptr;
      }
   }
 
   TAutoDiffVector(const Vector &v)
   {
      const int s = v.Size();
      if (s > 0)
      {
         size = s;
         capacity = s;
         data = new dtype[s];
         for (int i = 0; i < s; i++)
         {
            data[i] = v[i];
         }
      }
      else
      {
         size = 0;
         capacity = 0;
         data = nullptr;
      }
   }
 
   /// @brief Creates vector of size s.
   /// @warning Entries are not initialized to zero!
   explicit TAutoDiffVector(int s)
   {
      if (s > 0)
      {
         size = s;
         capacity = s;
         data = new dtype[size];
      }
      else
      {
         size = 0;
         capacity = 0;
         data = nullptr;
      }
   }
 
   /// Creates a vector referencing an array of doubles, owned by someone else.
   /** The pointer @a _data can be NULL. The data array can be replaced later
       with SetData(). */
   TAutoDiffVector(dtype *_data, int _size)
   {
      if (capacity > 0)
      {
         delete[] data;
         capacity = 0;
      }
      size = _size;
      data = _data;
   }
 
   /// Reads a vector from multiple files
   void Load(std::istream **in, int np, int *dim)
   {
      int i, j, s;
 
      s = 0;
      for (i = 0; i < np; i++)
      {
         s += dim[i];
      }
      SetSize(s);
 
      int p = 0;
      real_t tmpd;
      for (i = 0; i < np; i++)
      {
         for (j = 0; j < dim[i]; j++)
         {
            *in[i] >> tmpd;
            data[p++] = dtype(tmpd);
         }
      }
   }
 
   /// Load a vector from an input stream.
   void Load(std::istream &in, int Size)
   {
      SetSize(Size);
      real_t tmpd;
      for (int i = 0; i < size; i++)
      {
         in >> tmpd;
         data[i] = dtype(tmpd);
      }
   }
 
   /// Load a vector from an input stream, reading the size from the stream.
   void Load(std::istream &in)
   {
      int s;
      in >> s;
      Load(in, s);
   }
 
   /// @brief Resize the vector to size @a s.
   /** If the new size is less than or equal to Capacity() then the internal
       data array remains the same. Otherwise, the old array is deleted, if
       owned, and a new array of size @a s is allocated without copying the
       previous content of the Vector.
       @warning In the second case above (new size greater than current one),
       the vector will allocate new data array, even if it did not own the
       original data! Also, new entries are not initialized! */
   void SetSize(int s)
   {
      if (s == size)
      {
         return;
      }
 
      if (s <= capacity)
      {
         size = s;
         return;
      }
 
      delete[] data;
      data = new dtype[s];
      size = s;
      capacity = s;
   }
 
   /// Set the Vector data and size.
   /** The Vector does not assume ownership of the new data. The new size is
       @warning This method should be called only when OwnsData() is false.
       @sa NewDataAndSize(). */
   void SetDataAndSize(dtype *d, int s)
   {
      if (OwnsData())
      {
         delete[] data;
         capacity = 0;
      }
      data = d;
      size = s;
   }
 
   /// Set the Vector data and size, deleting the old data, if owned.
   /** The Vector does not assume ownership of the new data. The new size is
       also used as the new Capacity().
       @sa SetDataAndSize(). */
   void NewDataAndSize(dtype *d, int s) { SetDataAndSize(d, s); }
 
   /// Reset the Vector to be a reference to a sub-vector of @a base.
   inline void MakeRef(TAutoDiffVector<dtype> &base, int offset, int size_)
   {
      NewDataAndSize(base.GetData() + offset, size_);
   }
 
   /** @brief Reset the Vector to be a reference to a sub-vector of @a base
       without changing its current size. */
   inline void MakeRef(TAutoDiffVector<dtype> &base, int offset)
   {
      int tsiz = size;
      NewDataAndSize(base.GetData() + offset, tsiz);
   }
 
   /// Destroy a vector
   void Destroy()
   {
      size = 0;
      capacity = 0;
      delete[] data;
   }
 
   /// Returns the size of the vector.
   inline int Size() const { return size; }
 
   /// Return the size of the currently allocated data array.
   /** It is always true that Capacity() >= Size(). */
   inline int Capacity() const { return capacity; }
 
   /// Return a pointer to the beginning of the Vector data.
   /** @warning This method should be used with caution as it gives write access
       to the data of const-qualified Vector%s. */
   inline dtype *GetData() const
   {
      return const_cast<dtype *>((const dtype *) data);
   }
 
   /// Conversion to `double *`.
   /** @note This conversion function makes it possible to use [] for indexing
       in addition to the overloaded operator()(int). */
   inline operator dtype *() { return data; }
 
   /// Conversion to `const double *`.
   /** @note This conversion function makes it possible to use [] for indexing
       in addition to the overloaded operator()(int). */
   inline operator const dtype *() const { return data; }
 
   /// Read the Vector data (host pointer) ownership flag.
   inline bool OwnsData() const { return (capacity > 0); }
 
   /// Changes the ownership of the data; after the call the Vector is empty
   inline void StealData(dtype **p)
   {
      *p = data;
      delete[] data;
      size = 0;
      capacity = 0;
   }
 
   /// Changes the ownership of the data; after the call the Vector is empty
   inline dtype *StealData()
   {
      dtype *p;
      StealData(&p);
      return p;
   }
 
   /// Access Vector entries. Index i = 0 .. size-1.
   dtype &Elem(int i) { return operator()(i); }
   /// Read only access to Vector entries. Index i = 0 .. size-1.
   const dtype &Elem(int i) const { return operator()(i); }
 
   /// Access Vector entries using () for 0-based indexing.
   /** @note If MFEM_DEBUG is enabled, bounds checking is performed. */
   inline dtype &operator()(int i)
   {
      MFEM_ASSERT(data && i >= 0 && i < size,
                  "index [" << i << "] is out of range [0," << size << ")");
 
      return data[i];
   }
 
   /// Read only access to Vector entries using () for 0-based indexing.
   /** @note If MFEM_DEBUG is enabled, bounds checking is performed. */
   inline const dtype &operator()(int i) const
   {
      MFEM_ASSERT(data && i >= 0 && i < size,
                  "index [" << i << "] is out of range [0," << size << ")");
 
      return data[i];
   }
 
   /// Dot product with a `dtype *` array.
   dtype operator*(const dtype *v) const
   {
      dtype dot = 0.0;
      for (int i = 0; i < size; i++)
      {
         dot += data[i] * v[i];
      }
      return dot;
   }
 
   /// Return the inner-product.
   dtype operator*(const TAutoDiffVector<dtype> &v) const
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      dtype dot = 0.0;
      for (int i = 0; i < size; i++)
      {
         dot += data[i] * v[i];
      }
      return dot;
   }
 
   dtype operator*(const Vector &v) const
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      dtype dot = 0.0;
      for (int i = 0; i < size; i++)
      {
         dot += data[i] * v[i];
      }
      return dot;
   }
 
   /// Copy Size() entries from @a v.
   TAutoDiffVector<dtype> &operator=(const dtype *v)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = v[i];
      }
      return *this;
   }
 
   /// Copy assignment.
   /** @note Defining this method overwrites the implicitly defined copy
       assignment operator. */
   TAutoDiffVector<dtype> &operator=(const TAutoDiffVector<dtype> &v)
   {
      SetSize(v.Size());
      for (int i = 0; i < size; i++)
      {
         data[i] = v[i];
      }
      return *this;
   }
 
   TAutoDiffVector<dtype> &operator=(const Vector &v)
   {
      SetSize(v.Size());
      for (int i = 0; i < size; i++)
      {
         data[i] = v[i];
      }
      return *this;
   }
 
   /// Redefine '=' for vector = constant.
   template<typename ivtype>
   TAutoDiffVector &operator=(ivtype value)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = (dtype) value;
      }
      return *this;
   }
 
   template<typename ivtype>
   TAutoDiffVector &operator*=(ivtype c)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] * c;
      }
      return *this;
   }
 
   template<typename ivtype>
   TAutoDiffVector &operator/=(ivtype c)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] / c;
      }
      return *this;
   }
 
   TAutoDiffVector &operator-=(const TAutoDiffVector<dtype> &v)
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] - v[i];
      }
      return *this;
   }
 
   template<typename ivtype>
   TAutoDiffVector &operator-=(ivtype v)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] - v;
      }
      return *this;
   }
 
   TAutoDiffVector &operator+=(const TAutoDiffVector<dtype> &v)
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] + v[i];
      }
      return *this;
   }
 
   template<typename ivtype>
   TAutoDiffVector &operator+=(ivtype v)
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] + v;
      }
      return *this;
   }
 
   /// (*this) += a * Va
   template<typename ivtype, typename vtype>
   TAutoDiffVector &Add(const ivtype a, const vtype &v)
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < size; i++)
      {
         data[i] = data[i] + a * v[i];
      }
      return *this;
   }
 
   /// (*this) = a * x
   template<typename ivtype, typename vtype>
   TAutoDiffVector &Set(const ivtype a, const vtype &v)
   {
      MFEM_ASSERT(size == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < size; i++)
      {
         data[i] = a * v[i];
      }
      return *this;
   }
 
   template<typename vtype>
   void SetVector(const vtype &v, int offset)
   {
      MFEM_ASSERT(v.Size() + offset <= size, "invalid sub-vector");
      for (int i = 0; i < size; i++)
      {
         data[i + offset] = v[i];
      }
   }
 
   /// (*this) = -(*this)
   void Neg()
   {
      for (int i = 0; i < size; i++)
      {
         data[i] = -data[i];
      }
   }
 
   /// Swap the contents of two Vectors
   inline void Swap(TAutoDiffVector<dtype> &other)
   {
      Swap(data, other.data);
      Swap(size, other.size);
      Swap(capacity, other.capacity);
   }
 
   /// Set v = v1 + v2.
   template<typename vtype1, typename vtype2>
   friend void add(const vtype1 &v1, const vtype2 &v2, TAutoDiffVector<dtype> &v)
   {
      MFEM_ASSERT(v1.Size() == v.Size(), "incompatible Vectors!");
      MFEM_ASSERT(v2.Size() == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < v.Size(); i++)
      {
         v[i] = v1[i] + v2[i];
      }
   }
 
   /// Set v = v1 + alpha * v2.
   template<typename vtype1, typename vtype2>
   friend void add(const vtype1 &v1,
                   dtype alpha,
                   const vtype2 &v2,
                   TAutoDiffVector<dtype> &v)
   {
      MFEM_ASSERT(v1.Size() == v.Size(), "incompatible Vectors!");
      MFEM_ASSERT(v2.Size() == v.Size(), "incompatible Vectors!");
      for (int i = 0; i < v.Size(); i++)
      {
         v[i] = v1[i] + alpha * v2[i];
      }
   }
 
   template<typename vtype1, typename vtype2>
   friend void add(const dtype a,
                   const vtype1 &x,
                   const dtype b,
                   const vtype2 &y,
                   TAutoDiffVector<dtype> &z)
   {
      MFEM_ASSERT(x.Size() == y.Size() && x.Size() == z.Size(),
                  "incompatible Vectors!");
 
      for (int i = 0; i < z.Size(); i++)
      {
         z[i] = a * x[i] + b * y[i];
      }
   }
 
   template<typename vtype1, typename vtype2>
   friend void add(const dtype a,
                   const vtype1 &x,
                   const vtype2 &y,
                   TAutoDiffVector<dtype> &z)
   {
      MFEM_ASSERT(x.Size() == y.Size() && x.Size() == z.Size(),
                  "incompatible Vectors!");
 
      for (int i = 0; i < z.Size(); i++)
      {
         z[i] = a * x[i] + y[i];
      }
   }
 
   template<typename vtype1, typename vtype2>
   friend void subtract(const vtype1 &x, const vtype2 &y,
                        TAutoDiffVector<dtype> &z)
   {
      MFEM_ASSERT(x.Size() == y.Size() && x.Size() == z.Size(),
                  "incompatible Vectors!");
      for (int i = 0; i < z.Size(); i++)
      {
         z[i] = x[i] - y[i];
      }
   }
 
   template<typename ivtype, typename vtype1, typename vtype2>
   friend void subtract(const ivtype a,
                        const vtype1 &x,
                        const vtype2 &y,
                        TAutoDiffVector<dtype> &z)
   {
      MFEM_ASSERT(x.Size() == y.Size() && x.Size() == z.Size(),
                  "incompatible Vectors!");
      for (int i = 0; i < z.Size(); i++)
      {
         z[i] = a * (x[i] - y[i]);
      }
   }
 
   /// Destroys vector.
   ~TAutoDiffVector() { delete[] data; }
 
   /// Prints vector to stream @a os with @a width entries per line.
   void Print(std::ostream &os = mfem::out, int width = 8) const
   {
      if (!size)
      {
         return;
      }
      for (int i = 0; 1;)
      {
         os << data[i];
         i++;
         if (i == size)
         {
            break;
         }
         if (i % width == 0)
         {
            os << '\n';
         }
         else
         {
            os << ' ';
         }
      }
      os << '\n';
   }
 
   /// Set random values in the vector.
   void Randomize(int seed = 0)
   {
      // static unsigned int seed = time(0);
 
      if (seed == 0)
      {
         seed = (int) time(0);
      }
 
      // srand(seed++);
      srand((unsigned) seed);
 
      for (int i = 0; i < size; i++)
      {
         data[i] = rand_real();
      }
   }
   /// Returns the l2 norm of the vector.
   dtype Norml2() const
   {
      // Scale entries of Vector on the fly, using algorithms from std::hypot()
      // and LAPACK's drm2. This scaling ensures that the argument of each call
      // to std::pow is <= 1 to avoid overflow.
      if (0 == size)
      {
         return 0.0;
      } // end if 0 == size
 
      if (1 == size)
      {
         return abs(data[0]);
      } // end if 1 == size
 
      dtype scale = 0.0;
      dtype sum = 0.0;
 
      for (int i = 0; i < size; i++)
      {
         if (data[i] != 0.0)
         {
            const dtype absdata = abs(data[i]);
            if (scale <= absdata)
            {
               const dtype sqr_arg = scale / absdata;
               sum = 1.0 + sum * (sqr_arg * sqr_arg);
               scale = absdata;
               continue;
            } // end if scale <= absdata
            const dtype sqr_arg = absdata / scale;
            sum += (sqr_arg * sqr_arg); // else scale > absdata
         }                              // end if data[i] != 0
      }
      return scale * sqrt(sum);
   }
 
   /// Returns the l_infinity norm of the vector.
   dtype Normlinf() const
   {
      dtype max = 0.0;
      for (int i = 0; i < size; i++)
      {
         max = max(abs(data[i]), max);
      }
      return max;
   }
   /// Returns the l_1 norm of the vector.
   dtype Norml1() const
   {
      dtype sum = 0.0;
      for (int i = 0; i < size; i++)
      {
         sum += abs(data[i]);
      }
      return sum;
   }
};
 
} // namespace mfem
 
#endif