irrep.h

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/*
 *  This file is a part of TiledArray.
 *  Copyright (C) 2015  Virginia Tech
 *
 *  This program is free software: you can redistribute it and/or modify
 *  it under the terms of the GNU General Public License as published by
 *  the Free Software Foundation, either version 3 of the License, or
 *  (at your option) any later version.
 *
 *  This program is distributed in the hope that it will be useful,
 *  but WITHOUT ANY WARRANTY; without even the implied warranty of
 *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *  GNU General Public License for more details.
 *
 *  You should have received a copy of the GNU General Public License
 *  along with this program.  If not, see <http://www.gnu.org/licenses/>.
 *
 *  justus
 *  Department of Chemistry, Virginia Tech
 *
 *  irrep.h
 *  May 18, 2015
 *
 */

#ifndef TILEDARRAY_IRREP_H__INCLUDED
#define TILEDARRAY_IRREP_H__INCLUDED

#include <TiledArray/madness.h>
#include <TiledArray/error.h>

namespace TiledArray {


  class Irrep {

    std::unique_ptr<unsigned int[]> data_; 
    unsigned int degree_; 

  public:

    Irrep() = delete;
    Irrep(Irrep&&) = default;
    ~Irrep() = default;
    Irrep& operator=(Irrep&&) = default;

    Irrep(const Irrep& other) :
      data_(std::make_unique<unsigned int[]>(other.degree_ << 1)),
      degree_(other.degree_)
    {
      std::copy_n(other.data_.get(), other.degree_ << 1, data_.get());
    }

    Irrep(const std::initializer_list<unsigned int>& mu,
        const std::initializer_list<unsigned int>& M) :
      data_(std::make_unique<unsigned int[]>(M.size() << 1u)), degree_(M.size())
    {
      TA_ASSERT(mu.size() > 0ul);
      TA_ASSERT(M.size() > 0ul);
      TA_ASSERT(mu.size() <= M.size());

      // Fill the data of the irrep
      std::fill(std::copy(mu.begin(), mu.end(), data_.get()), data_.get() + degree_, 0u);
      std::copy(M.begin(), M.end(), data_.get() + degree_);

#ifndef NDEBUG
      {
        const unsigned int* MADNESS_RESTRICT const M = data_.get() + degree_;
        const unsigned int* MADNESS_RESTRICT const mu = data_.get();
        unsigned int M_max = 0u;
        unsigned int mu_sum = 0u;
        for(unsigned int i = 0u; i < degree_; ++i) {
          // Validate the partition data
          if(i > 0u)
            TA_ASSERT(mu[i] <= mu[i - 1u]);
          mu_sum += mu[i];

          // Validate the Yamanouchi symbols data
          TA_ASSERT(M[i] <= (M_max + 1u));
          M_max = std::max(M[i], M_max);
          TA_ASSERT(std::count(M, M + degree_, i + 1u) == mu[i]);
        }

        // Check that the correct number of elements are in the partition data
        TA_ASSERT(mu_sum == degree_);
      }
#endif // NDEBUG
    }


    Irrep& operator=(const Irrep& other) {
      if(degree_ != other.degree_) {
        data_ = std::make_unique<unsigned int[]>(other.degree_ << 1);
        degree_ = other.degree_;
      }
      std::copy_n(other.data_.get(), other.degree_ << 1, data_.get());

      return *this;
    }


    unsigned int degree() const { return degree_; }


    const unsigned int* data() const { return data_.get(); }

  }; // class Irrep

} // namespace TiledArray

#endif // TILEDARRAY_IRREP_H__INCLUDED