Configuration.cs

// Copyright (c) Microsoft Corporation.
// Licensed under the MIT License.

// This file defines several structures used for configuring how the rest
// of the sample runs.

using System;

namespace Microsoft.Quantum.Chemistry.Samples
{

    /// <summary>
    /// Enumeration type for choice of Hamiltonian simulation algorithm
    /// </summary>
    public enum HamiltonianSimulationAlgorithm
    {
        ProductFormula,
        Qubitization
    };

    /// <summary>
    /// Configuration data for product formula simulation algorithm
    /// </summary>
    public struct ProductFormulaConfig
    {
        /// <summary>
        /// Order of product formula integrator.
        /// </summary>
        public Int64 Order;

        /// <summary>
        /// Step-size of product formula
        /// </summary>
        public Double StepSize;

        /// <summary>
        /// Product formula configuration constructor.
        /// </summary>
        /// <param name="setStepSize">Step size of integrator</param>
        /// <param name="setOrder">Order of integrator</param>
        public ProductFormulaConfig(Double setStepSize, Int64 setOrder = 1)
        {
            Order = setOrder;
            if (setOrder > 2)
            {
                throw new System.NotImplementedException($"Product formulas of order > 2 not implemented.");
            }
            StepSize = setStepSize;
        }
    };

    /// <summary>
    /// Configuration data for Qubitization simulation algorithm
    /// </summary>
    public struct QubitizationConfig
    {
        /// <summary>
        /// Choice of quantum state preparation
        /// </summary>
        public QubitizationStatePrep QubitizationStatePrep { get; set; }

        /// <summary>
        /// Qubitization configuration constructor.
        /// </summary>
        /// <param name="setQubitizationStatePrep">Choice of quantum state preparation algorithm</param>
        public QubitizationConfig(QubitizationStatePrep setQubitizationStatePrep = QubitizationStatePrep.MinimizeQubitCount)
        {
            QubitizationStatePrep = setQubitizationStatePrep;
        }

    }

    /// <summary>
    /// Enumeration type for choice of quantum state preparation.
    /// </summary>
    public enum QubitizationStatePrep
    {
        MinimizeQubitCount,
        MinimizeTGateCount
    }

    /// <summary>
    /// Configuration data for Hamiltonian simulation algorithm
    /// </summary>
    public struct HamiltonianSimulationConfig
    {
        /// <summary>
        /// Choice of Hamiltonian simulation algorithm
        /// </summary>
        public HamiltonianSimulationAlgorithm HamiltonianSimulationAlgorithm { get; set; }

        /// <summary>
        /// Configuration for <see cref="HamiltonianSimulationAlgorithm.ProductFormula"/>.
        /// </summary>
        public ProductFormulaConfig ProductFormulaConfig { get; set; }

        /// <summary>
        /// Configuration for <see cref="HamiltonianSimulationAlgorithm.Qubitization"/>.
        /// </summary>
        public QubitizationConfig QubitizationConfig { get; set; }

        /// <summary>
        /// Hamiltonian simulation algorithm configuration constructor.
        /// </summary>
        /// <param name="setProductFormulaConfig">Product formula configuration</param>
        public HamiltonianSimulationConfig(ProductFormulaConfig setProductFormulaConfig = new ProductFormulaConfig())
        {
            HamiltonianSimulationAlgorithm = HamiltonianSimulationAlgorithm.ProductFormula;
            ProductFormulaConfig = setProductFormulaConfig;
            // Default settings for all other parameters
            QubitizationConfig = new QubitizationConfig();
        }

        /// <summary>
        /// Hamiltonian simulation algorithm configuration constructor.
        /// </summary>
        /// <param name="setQubitizationConfig">Qubitization formula configuration</param>
        public HamiltonianSimulationConfig(QubitizationConfig setQubitizationConfig = new QubitizationConfig())
        {
            HamiltonianSimulationAlgorithm = HamiltonianSimulationAlgorithm.Qubitization;
            QubitizationConfig = setQubitizationConfig;
            // Default settings for all other parameters
            ProductFormulaConfig = new ProductFormulaConfig();
        }
    }
}