NumMat_impl.hpp

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/*
   Copyright (c) 2012 The Regents of the University of California,
   through Lawrence Berkeley National Laboratory.  

Authors: Lexing Ying, Mathias Jacquelin and Lin Lin

This file is part of PEXSI. All rights reserved.

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modification, are permitted provided that the following conditions are met:

(1) Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
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 */
#ifndef _PEXSI_NUMMAT_IMPL_HPP_
#define _PEXSI_NUMMAT_IMPL_HPP_


namespace  PEXSI{

  template <class F> inline void NumMat<F>::allocate(F* data) {
    if(owndata_) {
      if(m_>0 && n_>0) { data_ = new F[m_*n_]; if( data_ == NULL ) throw std::runtime_error("Cannot allocate memory."); } else data_=NULL;
      if(data!=NULL){std::copy(data,data+m_*n_,data_);}
    } else {
      data_ = data;
    }
    bufsize_=m_*n_;
  }
  template <class F> inline void NumMat<F>::deallocate(){
    if(owndata_) {
      if(bufsize_>0) { delete[] data_; data_ = NULL; }
    }
  }

  template <class F> NumMat<F>::NumMat(Int m, Int n): m_(m), n_(n), owndata_(true) {
    this->allocate();
  }

  template <class F> NumMat<F>::NumMat(Int m, Int n, bool owndata, F* data): m_(m), n_(n), owndata_(owndata) {
    this->allocate(data);
  }

  template <class F> NumMat<F>::NumMat(const NumMat& C): m_(C.m_), n_(C.n_), owndata_(C.owndata_) {
    this->allocate(C.data_);
  }

  template <class F> NumMat<F>::~NumMat() {
    this->deallocate();
  }

  template <class F> NumMat<F>& NumMat<F>::Copy(const NumMat<F>& C) {
    this->deallocate();
    m_ = C.m_; n_=C.n_; owndata_=C.owndata_;
    this->allocate(C.data_);
    return *this;
  }

  template <class F> NumMat<F>& NumMat<F>::operator=(const NumMat<F>& C) {
    this->deallocate();
    m_ = C.m_; n_=C.n_; owndata_=C.owndata_;
    this->allocate(C.data_);
    return *this;
  }

  template <class F> void NumMat<F>::Resize(Int m, Int n)  {
    if( owndata_ == false ){
      throw std::logic_error("Matrix being resized must own data.");
    }

    if(m*n > bufsize_) {
      this->deallocate();
      m_ = m; n_ = n;
      this->allocate();
    }
    else{
      m_ = m; n_ = n;
    }
  }

  template <class F> const F& NumMat<F>::operator()(Int i, Int j) const  { 
    if( i < 0 || i >= m_ ||
        j < 0 || j >= n_ ) {
      throw std::logic_error( "Index is out of bound." );
    }
    return data_[i+j*m_];
  }

  template <class F> F& NumMat<F>::operator()(Int i, Int j)  { 
    if( i < 0 || i >= m_ ||
        j < 0 || j >= n_ ) {
      throw std::logic_error( "Index is out of bound." );
    }
    return data_[i+j*m_];
  }

  template <class F> F* NumMat<F>::VecData(Int j)  const 
  { 
    if( j < 0 || j >= n_ ) {
      throw std::logic_error( "Index is out of bound." );
    }
    return &(data_[j*m_]); 
  }


  template <class F> inline void SetValue(NumMat<F>& M, F val)
  {
    std::fill(M.Data(),M.Data()+M.m()*M.n(),val);
  }

  template <class F> inline Real Energy(const NumMat<F>& M)
  {
    Real sum = 0;
    F *ptr = M.Data();
    for (Int i=0; i < M.m()*M.n(); i++) 
      sum += abs(ptr[i]) * abs(ptr[i]);
    return sum;
  }


  template <class F> inline void
    Transpose ( const NumMat<F>& A, NumMat<F>& B )
    {
#ifndef _RELEASE_
      PushCallStack("Transpose");
#endif
      if( A.m() != B.n() || A.n() != B.m() ){
        B.Resize( A.n(), A.m() );
      }

      F* Adata = A.Data();
      F* Bdata = B.Data();
      Int m = A.m(), n = A.n();

      for( Int i = 0; i < m; i++ ){
        for( Int j = 0; j < n; j++ ){
          Bdata[ j + n*i ] = Adata[ i + j*m ];
        }
      }

#ifndef _RELEASE_
      PopCallStack();
#endif

      return ;
    }           // -----  end of function Transpose  ----- 

  template <class F> inline void
    Symmetrize( NumMat<F>& A )
    {
#ifndef _RELEASE_
      PushCallStack("Symmetrize");
#endif
      if( A.m() != A.n() ){
        throw std::logic_error( "The matrix to be symmetrized should be a square matrix." );
      }

      NumMat<F> B;
      Transpose( A, B );

      F* Adata = A.Data();
      F* Bdata = B.Data();

      F  half = (F) 0.5;

      for( Int i = 0; i < A.m() * A.n(); i++ ){
        *Adata = half * (*Adata + *Bdata);
        Adata++; Bdata++;
      }

#ifndef _RELEASE_
      PopCallStack();
#endif

      return ;
    }           // -----  end of function Symmetrize ----- 


} // namespace PEXSI

#endif // _PEXSI_NUMMAT_IMPL_HPP_