Jungfraujoch/common/BraggIntegrationSettings.cpp

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only

#include <cmath>

#include "BraggIntegrationSettings.h"
#include "JFJochException.h"

#define check_max(param, val, max) if ((val) > (max)) throw JFJochException(JFJochExceptionCategory::InputParameterAboveMax, param)
#define check_min(param, val, min) if ((val) < (min)) throw JFJochException(JFJochExceptionCategory::InputParameterBelowMin, param)
#define check_finite(param, val) if (!std::isfinite(val)) throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, param)

BraggIntegrationSettings &BraggIntegrationSettings::R1(float input) {
    check_finite("Integration radius R1", input);
    check_min("Integration radius R1", input, 0.1);
    check_max("Integration radius R1", input, 20.0);
    r_1 = input;
    return *this;
}

BraggIntegrationSettings &BraggIntegrationSettings::R2(float input) {
    check_finite("Background inner radius R2", input);
    check_min("Background inner radius R2", input, 0.1);
    check_max("Background inner radius R2", input, 30.0);

    if (input <= r_1)
        throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
                              "Background inner radius (R2) must be larger than integration radius (R1)");

    r_2 = input;
    return *this;
}

BraggIntegrationSettings &BraggIntegrationSettings::R3(float input) {
    check_finite("Background outer radius R3", input);
    check_min("Background outer radius R3", input, 0.1);
    check_max("Background outer radius R3", input, 40.0);

    if (input <= r_2)
        throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
                              "Background outer radius (R3) must be larger than background inner radius (R2)");

    r_3 = input;
    return *this;
}

BraggIntegrationSettings &BraggIntegrationSettings::DMinLimit_A(std::optional<float> input) {
    if (input) {
        check_finite("Minimum d-spacing", *input);
        check_min("Minimum d-spacing", *input, 0.5);
        check_max("Minimum d-spacing", *input, 100.0);
    }
    d_min_limit_A = input;
    return *this;
}

BraggIntegrationSettings & BraggIntegrationSettings::FixedProfileRadius_recipA(std::optional<float> input) {
    if (input) {
        check_finite("Profile radius", input.value());
        check_min("Profile radius [A^-1]", input.value(), 0.000001);
        check_max("Profile radius [A^-1]", input.value(), 0.01);
    }
    fixed_profile_radius = input;
    return *this;

}

std::optional<float> BraggIntegrationSettings::GetFixedProfileRadius_recipA() const {
    return fixed_profile_radius;
}

BraggIntegrationSettings &BraggIntegrationSettings::Integrator(IntegratorMode input) {
    integrator_mode = input;
    return *this;
}

IntegratorMode BraggIntegrationSettings::GetIntegrator() const {
    return integrator_mode;
}

float BraggIntegrationSettings::GetR1() const {
    return r_1;
}

float BraggIntegrationSettings::GetR2() const {
    return r_2;
}

float BraggIntegrationSettings::GetR3() const {
    return r_3;
}

std::optional<float> BraggIntegrationSettings::GetDMinLimit_A() const {
    return d_min_limit_A;
}

float BraggIntegrationSettings::GetMinimumSigmaInRegardsToI() const {
    return minimum_sigma_in_regards_to_i;
}

BraggIntegrationSettings &BraggIntegrationSettings::BackgroundTrimFraction(float input) {
    check_finite("Background trim fraction", input);
    check_min("Background trim fraction", input, 0.0);
    check_max("Background trim fraction", input, 0.49);   // must leave a central majority after trimming
    bkg_trim_fraction = input;
    if (input > 0.0f)
        bkg_clip_nsigma = 0.0f;      // the two ring estimators are alternatives, not a stack
    return *this;
}

float BraggIntegrationSettings::GetBackgroundTrimFraction() const {
    return bkg_trim_fraction;
}

BraggIntegrationSettings &BraggIntegrationSettings::MaxHKL(std::optional<int> input) {
    if (input) {
        check_min("Maximum hkl index", *input, 1);
        // The GPU predictor launches one thread per candidate, so the cost is (2n+1)^3: 511 is 1.1e9
        // candidates per frame, already far past the point where prediction dominates a run.
        check_max("Maximum hkl index", *input, 511);
    }
    max_hkl = input;
    return *this;
}

std::optional<int> BraggIntegrationSettings::GetMaxHKL() const {
    return max_hkl;
}

BraggIntegrationSettings &BraggIntegrationSettings::BackgroundClipNSigma(float input) {
    check_finite("Background clip nsigma", input);
    check_min("Background clip nsigma", input, 0.0);
    bkg_clip_nsigma = input;
    if (input > 0.0f)
        bkg_trim_fraction = 0.0f;    // the two ring estimators are alternatives, not a stack
    return *this;
}

float BraggIntegrationSettings::GetBackgroundClipNSigma() const {
    return bkg_clip_nsigma;
}