CartesianExponents.hpp

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// This file is part of GQCG-GQCP.
//
// Copyright (C) 2017-2020  the GQCG developers
//
// GQCG-GQCP is free software: you can redistribute it and/or modify
// it under the terms of the GNU Lesser General Public License as published by
// the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// GQCG-GQCP 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 Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with GQCG-GQCP.  If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
 
#include "Mathematical/Functions/CartesianDirection.hpp"
 
#include <array>
#include <cstddef>
#include <string>
#include <vector>
 
 
namespace GQCP {
 
 
struct CartesianExponents {
public:
    std::array<size_t, 3> exponents;  // array containing the x, y, z exponents (in that order)
 
 
public:
    // CONSTRUCTORS
 
    CartesianExponents(const std::array<size_t, 3>& array);
 
    CartesianExponents(const size_t x, const size_t y, const size_t z);
 
    CartesianExponents(const std::vector<size_t>& vector);
 
 
    // OPERATORS
 
    bool operator<(const CartesianExponents& rhs) const;
 
    bool operator==(const CartesianExponents& rhs) const;
 
    bool operator!=(const CartesianExponents& rhs) const;
 
 
    // PUBLIC METHODS
 
    size_t angularMomentum() const;
 
    std::vector<CartesianExponents> allPermutations() const;
 
    const std::array<size_t, 3>& asArray() const { return this->exponents; }
 
    std::string description() const;
 
    size_t value(const CartesianDirection direction) const { return this->exponents[direction]; }
};
 
 
}  // namespace GQCP