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Jungfraujoch/common/BraggIntegrationSettings.cpp
T
leonarski_f 8a9d80eb71
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PixelRefine: profile multiplier as --profile-multiplier flag; outlier rejection default off
(1) Promote the Term-2 profile-width multiplier from the PR_RMULT env knob to a real
BraggIntegrationSettings::profile_multiplier (default 6) + jfjoch_process
--profile-multiplier flag. Removes the last PR_* env knob; IndexAndRefine reads the
setting. (2) Flip the merge outlier rejection default to OFF (ScalingSettings
outlier_reject_nsigma 6 -> 0); it stays available via --reject-outliers <nsigma>, since
it helps the jet R-free but is dataset-dependent (drops crystal-2 CCref).

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-06-15 13:48:11 +02:00

101 lines
3.3 KiB
C++

// 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(float 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;
}
float BraggIntegrationSettings::GetR1() const {
return r_1;
}
float BraggIntegrationSettings::GetProfileMultiplier() const {
return profile_multiplier;
}
BraggIntegrationSettings &BraggIntegrationSettings::ProfileMultiplier(float input) {
if (input <= 0.0f)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Profile multiplier must be positive");
profile_multiplier = input;
return *this;
}
float BraggIntegrationSettings::GetR2() const {
return r_2;
}
float BraggIntegrationSettings::GetR3() const {
return r_3;
}
float BraggIntegrationSettings::GetDMinLimit_A() const {
return d_min_limit_A;
}
float BraggIntegrationSettings::GetMinimumSigmaInRegardsToI() const {
return minimum_sigma_in_regards_to_i;
}