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* Rugnux: Performance improvements on GPU and CPU (more of the pre-scan and of scaling on the GPU, faster CPU spot finding and crystal refinement), with unchanged results. * Rugnux: More robust processing - patches of persistently hot pixels are masked, an inconsistent merge triggers a retry at the measured beam centre, and builds targeting different CPU levels give the same results. * Rugnux: Improved scaling and merging - reflections with an overloaded pixel are dropped, as in XDS, sparse rotation sweeps are scaled more reliably, and French-Wilson amplitudes use an anisotropic Wilson prior. * Rugnux: Improved space-group determination - glide planes in groups without a centre of symmetry, screw axes from short or weak axial rows kept when a higher group is adopted, and more reliable decisions on twinned and pseudo-symmetric crystals. * Rugnux: Improved small-molecule processing - spots that grow wider than the integration disk and split spots are integrated over their measured footprint, sparse lattices are integrated on every frame, and the `.hkl` file holds unmerged scaled reflections (SHELX HKLF 4). * Rugnux: Reads Rigaku d*TREK SMV images (Saturn CCD), including detector 2theta and encoded pixel overflows; home-source (rotating-anode) datasets were added to the validation battery. * jfjoch_viewer: Fixed processing failing at the end with "Wrong JPEG library version" on Linux; the merge window shows the space group with proper subscripts and a checklist of crystal pathologies. Reviewed-on: #84 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
511 lines
16 KiB
C++
511 lines
16 KiB
C++
/**
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* Jungfraujoch
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* API to control Jungfraujoch developed by the Paul Scherrer Institute (Switzerland). Jungfraujoch is a data acquisition and analysis system for pixel array detectors, primarly PSI JUNGFRAU. Jungfraujoch uses FPGA boards to acquire data at high data rates. # License Clarification While this API definition is licensed under GPL-3.0, **the GPL copyleft provisions do not apply** when this file is used solely to generate OpenAPI clients or when implementing applications that interact with the API. Generated client code and applications using this API definition are not subject to the GPL license requirements and may be distributed under terms of your choosing. This exception is similar in spirit to the Linux Kernel's approach to userspace API headers and the GCC Runtime Library Exception. The Linux Kernel developers have explicitly stated that user programs that merely use the kernel interfaces (syscalls, ioctl definitions, etc.) are not derivative works of the kernel and are not subject to the terms of the GPL. This exception is intended to allow wider use of this API specification without imposing GPL requirements on applications that merely interact with the API, regardless of whether they communicate through network calls or other mechanisms.
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*
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* The version of the OpenAPI document: 1.0.0-rc.174
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* Contact: filip.leonarski@psi.ch
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*
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* NOTE: This class is auto generated by OpenAPI Generator (https://openapi-generator.tech).
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* https://openapi-generator.tech
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* Do not edit the class manually.
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*/
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#include "Powder_calibration_quality.h"
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#include "Helpers.h"
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#include <sstream>
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namespace org::openapitools::server::model
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{
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Powder_calibration_quality::Powder_calibration_quality()
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{
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m_Converged = false;
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m_ConvergedIsSet = false;
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m_Not_converged_reason = "";
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m_Not_converged_reasonIsSet = false;
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m_Calibrant = "";
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m_CalibrantIsSet = false;
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m_Method = "";
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m_MethodIsSet = false;
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m_Ring_points = 0L;
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m_Ring_pointsIsSet = false;
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m_Rms_radial_pxl = 0.0f;
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m_Rms_radial_pxlIsSet = false;
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m_Beam_sigma_pxl = 0.0f;
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m_Beam_sigma_pxlIsSet = false;
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m_Direct_beam_x_pxl = 0.0f;
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m_Direct_beam_x_pxlIsSet = false;
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m_Direct_beam_y_pxl = 0.0f;
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m_Direct_beam_y_pxlIsSet = false;
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m_Header_distance_mm = 0.0f;
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m_Header_distance_mmIsSet = false;
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m_Ring_seed_distance_mm = 0.0f;
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m_Ring_seed_distance_mmIsSet = false;
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m_Tilt_refined = false;
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m_Tilt_refinedIsSet = false;
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m_Tilt_significance = 0.0f;
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m_Tilt_significanceIsSet = false;
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m_Fit_sigmaIsSet = false;
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m_Spot_cross_checkIsSet = false;
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}
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void Powder_calibration_quality::validate() const
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{
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std::stringstream msg;
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if (!validate(msg))
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{
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throw org::openapitools::server::helpers::ValidationException(msg.str());
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}
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}
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bool Powder_calibration_quality::validate(std::stringstream& msg) const
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{
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return validate(msg, "");
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}
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bool Powder_calibration_quality::validate(std::stringstream& msg, const std::string& pathPrefix) const
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{
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bool success = true;
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const std::string _pathPrefix = pathPrefix.empty() ? "Powder_calibration_quality" : pathPrefix;
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return success;
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}
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bool Powder_calibration_quality::operator==(const Powder_calibration_quality& rhs) const
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{
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return
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((!convergedIsSet() && !rhs.convergedIsSet()) || (convergedIsSet() && rhs.convergedIsSet() && isConverged() == rhs.isConverged())) &&
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((!notConvergedReasonIsSet() && !rhs.notConvergedReasonIsSet()) || (notConvergedReasonIsSet() && rhs.notConvergedReasonIsSet() && getNotConvergedReason() == rhs.getNotConvergedReason())) &&
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((!calibrantIsSet() && !rhs.calibrantIsSet()) || (calibrantIsSet() && rhs.calibrantIsSet() && getCalibrant() == rhs.getCalibrant())) &&
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((!methodIsSet() && !rhs.methodIsSet()) || (methodIsSet() && rhs.methodIsSet() && getMethod() == rhs.getMethod())) &&
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((!ringPointsIsSet() && !rhs.ringPointsIsSet()) || (ringPointsIsSet() && rhs.ringPointsIsSet() && getRingPoints() == rhs.getRingPoints())) &&
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((!rmsRadialPxlIsSet() && !rhs.rmsRadialPxlIsSet()) || (rmsRadialPxlIsSet() && rhs.rmsRadialPxlIsSet() && getRmsRadialPxl() == rhs.getRmsRadialPxl())) &&
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((!beamSigmaPxlIsSet() && !rhs.beamSigmaPxlIsSet()) || (beamSigmaPxlIsSet() && rhs.beamSigmaPxlIsSet() && getBeamSigmaPxl() == rhs.getBeamSigmaPxl())) &&
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((!directBeamXPxlIsSet() && !rhs.directBeamXPxlIsSet()) || (directBeamXPxlIsSet() && rhs.directBeamXPxlIsSet() && getDirectBeamXPxl() == rhs.getDirectBeamXPxl())) &&
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((!directBeamYPxlIsSet() && !rhs.directBeamYPxlIsSet()) || (directBeamYPxlIsSet() && rhs.directBeamYPxlIsSet() && getDirectBeamYPxl() == rhs.getDirectBeamYPxl())) &&
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((!headerDistanceMmIsSet() && !rhs.headerDistanceMmIsSet()) || (headerDistanceMmIsSet() && rhs.headerDistanceMmIsSet() && getHeaderDistanceMm() == rhs.getHeaderDistanceMm())) &&
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((!ringSeedDistanceMmIsSet() && !rhs.ringSeedDistanceMmIsSet()) || (ringSeedDistanceMmIsSet() && rhs.ringSeedDistanceMmIsSet() && getRingSeedDistanceMm() == rhs.getRingSeedDistanceMm())) &&
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((!tiltRefinedIsSet() && !rhs.tiltRefinedIsSet()) || (tiltRefinedIsSet() && rhs.tiltRefinedIsSet() && isTiltRefined() == rhs.isTiltRefined())) &&
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((!tiltSignificanceIsSet() && !rhs.tiltSignificanceIsSet()) || (tiltSignificanceIsSet() && rhs.tiltSignificanceIsSet() && getTiltSignificance() == rhs.getTiltSignificance())) &&
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((!fitSigmaIsSet() && !rhs.fitSigmaIsSet()) || (fitSigmaIsSet() && rhs.fitSigmaIsSet() && getFitSigma() == rhs.getFitSigma())) &&
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((!spotCrossCheckIsSet() && !rhs.spotCrossCheckIsSet()) || (spotCrossCheckIsSet() && rhs.spotCrossCheckIsSet() && getSpotCrossCheck() == rhs.getSpotCrossCheck()))
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;
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}
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bool Powder_calibration_quality::operator!=(const Powder_calibration_quality& rhs) const
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{
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return !(*this == rhs);
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}
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void to_json(nlohmann::json& j, const Powder_calibration_quality& o)
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{
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j = nlohmann::json::object();
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if(o.convergedIsSet())
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j["converged"] = o.m_Converged;
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if(o.notConvergedReasonIsSet())
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j["not_converged_reason"] = o.m_Not_converged_reason;
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if(o.calibrantIsSet())
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j["calibrant"] = o.m_Calibrant;
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if(o.methodIsSet())
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j["method"] = o.m_Method;
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if(o.ringPointsIsSet())
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j["ring_points"] = o.m_Ring_points;
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if(o.rmsRadialPxlIsSet())
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j["rms_radial_pxl"] = o.m_Rms_radial_pxl;
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if(o.beamSigmaPxlIsSet())
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j["beam_sigma_pxl"] = o.m_Beam_sigma_pxl;
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if(o.directBeamXPxlIsSet())
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j["direct_beam_x_pxl"] = o.m_Direct_beam_x_pxl;
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if(o.directBeamYPxlIsSet())
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j["direct_beam_y_pxl"] = o.m_Direct_beam_y_pxl;
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if(o.headerDistanceMmIsSet())
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j["header_distance_mm"] = o.m_Header_distance_mm;
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if(o.ringSeedDistanceMmIsSet())
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j["ring_seed_distance_mm"] = o.m_Ring_seed_distance_mm;
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if(o.tiltRefinedIsSet())
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j["tilt_refined"] = o.m_Tilt_refined;
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if(o.tiltSignificanceIsSet())
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j["tilt_significance"] = o.m_Tilt_significance;
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if(o.fitSigmaIsSet())
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j["fit_sigma"] = o.m_Fit_sigma;
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if(o.spotCrossCheckIsSet())
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j["spot_cross_check"] = o.m_Spot_cross_check;
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}
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void from_json(const nlohmann::json& j, Powder_calibration_quality& o)
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{
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if(j.find("converged") != j.end())
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{
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j.at("converged").get_to(o.m_Converged);
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o.m_ConvergedIsSet = true;
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}
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if(j.find("not_converged_reason") != j.end())
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{
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j.at("not_converged_reason").get_to(o.m_Not_converged_reason);
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o.m_Not_converged_reasonIsSet = true;
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}
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if(j.find("calibrant") != j.end())
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{
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j.at("calibrant").get_to(o.m_Calibrant);
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o.m_CalibrantIsSet = true;
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}
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if(j.find("method") != j.end())
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{
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j.at("method").get_to(o.m_Method);
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o.m_MethodIsSet = true;
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}
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if(j.find("ring_points") != j.end())
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{
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j.at("ring_points").get_to(o.m_Ring_points);
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o.m_Ring_pointsIsSet = true;
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}
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if(j.find("rms_radial_pxl") != j.end())
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{
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j.at("rms_radial_pxl").get_to(o.m_Rms_radial_pxl);
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o.m_Rms_radial_pxlIsSet = true;
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}
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if(j.find("beam_sigma_pxl") != j.end())
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{
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j.at("beam_sigma_pxl").get_to(o.m_Beam_sigma_pxl);
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o.m_Beam_sigma_pxlIsSet = true;
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}
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if(j.find("direct_beam_x_pxl") != j.end())
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{
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j.at("direct_beam_x_pxl").get_to(o.m_Direct_beam_x_pxl);
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o.m_Direct_beam_x_pxlIsSet = true;
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}
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if(j.find("direct_beam_y_pxl") != j.end())
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{
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j.at("direct_beam_y_pxl").get_to(o.m_Direct_beam_y_pxl);
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o.m_Direct_beam_y_pxlIsSet = true;
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}
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if(j.find("header_distance_mm") != j.end())
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{
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j.at("header_distance_mm").get_to(o.m_Header_distance_mm);
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o.m_Header_distance_mmIsSet = true;
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}
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if(j.find("ring_seed_distance_mm") != j.end())
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{
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j.at("ring_seed_distance_mm").get_to(o.m_Ring_seed_distance_mm);
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o.m_Ring_seed_distance_mmIsSet = true;
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}
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if(j.find("tilt_refined") != j.end())
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{
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j.at("tilt_refined").get_to(o.m_Tilt_refined);
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o.m_Tilt_refinedIsSet = true;
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}
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if(j.find("tilt_significance") != j.end())
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{
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j.at("tilt_significance").get_to(o.m_Tilt_significance);
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o.m_Tilt_significanceIsSet = true;
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}
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if(j.find("fit_sigma") != j.end())
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{
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j.at("fit_sigma").get_to(o.m_Fit_sigma);
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o.m_Fit_sigmaIsSet = true;
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}
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if(j.find("spot_cross_check") != j.end())
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{
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j.at("spot_cross_check").get_to(o.m_Spot_cross_check);
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o.m_Spot_cross_checkIsSet = true;
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}
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}
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bool Powder_calibration_quality::isConverged() const
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{
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return m_Converged;
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}
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void Powder_calibration_quality::setConverged(bool const value)
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{
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m_Converged = value;
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m_ConvergedIsSet = true;
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}
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bool Powder_calibration_quality::convergedIsSet() const
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{
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return m_ConvergedIsSet;
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}
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void Powder_calibration_quality::unsetConverged()
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{
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m_ConvergedIsSet = false;
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}
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std::string Powder_calibration_quality::getNotConvergedReason() const
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{
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return m_Not_converged_reason;
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}
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void Powder_calibration_quality::setNotConvergedReason(std::string const& value)
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{
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m_Not_converged_reason = value;
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m_Not_converged_reasonIsSet = true;
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}
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bool Powder_calibration_quality::notConvergedReasonIsSet() const
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{
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return m_Not_converged_reasonIsSet;
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}
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void Powder_calibration_quality::unsetNot_converged_reason()
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{
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m_Not_converged_reasonIsSet = false;
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}
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std::string Powder_calibration_quality::getCalibrant() const
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{
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return m_Calibrant;
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}
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void Powder_calibration_quality::setCalibrant(std::string const& value)
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{
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m_Calibrant = value;
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m_CalibrantIsSet = true;
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}
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bool Powder_calibration_quality::calibrantIsSet() const
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{
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return m_CalibrantIsSet;
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}
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void Powder_calibration_quality::unsetCalibrant()
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{
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m_CalibrantIsSet = false;
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}
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std::string Powder_calibration_quality::getMethod() const
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{
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return m_Method;
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}
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void Powder_calibration_quality::setMethod(std::string const& value)
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{
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m_Method = value;
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m_MethodIsSet = true;
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}
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bool Powder_calibration_quality::methodIsSet() const
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{
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return m_MethodIsSet;
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}
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void Powder_calibration_quality::unsetMethod()
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{
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m_MethodIsSet = false;
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}
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int64_t Powder_calibration_quality::getRingPoints() const
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{
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return m_Ring_points;
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}
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void Powder_calibration_quality::setRingPoints(int64_t const value)
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{
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m_Ring_points = value;
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m_Ring_pointsIsSet = true;
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}
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bool Powder_calibration_quality::ringPointsIsSet() const
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{
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return m_Ring_pointsIsSet;
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}
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void Powder_calibration_quality::unsetRing_points()
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{
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m_Ring_pointsIsSet = false;
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}
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float Powder_calibration_quality::getRmsRadialPxl() const
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{
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return m_Rms_radial_pxl;
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}
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void Powder_calibration_quality::setRmsRadialPxl(float const value)
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{
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m_Rms_radial_pxl = value;
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m_Rms_radial_pxlIsSet = true;
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}
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bool Powder_calibration_quality::rmsRadialPxlIsSet() const
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{
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return m_Rms_radial_pxlIsSet;
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}
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void Powder_calibration_quality::unsetRms_radial_pxl()
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{
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m_Rms_radial_pxlIsSet = false;
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}
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float Powder_calibration_quality::getBeamSigmaPxl() const
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{
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return m_Beam_sigma_pxl;
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}
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void Powder_calibration_quality::setBeamSigmaPxl(float const value)
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{
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m_Beam_sigma_pxl = value;
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m_Beam_sigma_pxlIsSet = true;
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}
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bool Powder_calibration_quality::beamSigmaPxlIsSet() const
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{
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return m_Beam_sigma_pxlIsSet;
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}
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void Powder_calibration_quality::unsetBeam_sigma_pxl()
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{
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m_Beam_sigma_pxlIsSet = false;
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}
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float Powder_calibration_quality::getDirectBeamXPxl() const
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{
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return m_Direct_beam_x_pxl;
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}
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void Powder_calibration_quality::setDirectBeamXPxl(float const value)
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{
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m_Direct_beam_x_pxl = value;
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m_Direct_beam_x_pxlIsSet = true;
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}
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bool Powder_calibration_quality::directBeamXPxlIsSet() const
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{
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return m_Direct_beam_x_pxlIsSet;
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}
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void Powder_calibration_quality::unsetDirect_beam_x_pxl()
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{
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m_Direct_beam_x_pxlIsSet = false;
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}
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float Powder_calibration_quality::getDirectBeamYPxl() const
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{
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return m_Direct_beam_y_pxl;
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}
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void Powder_calibration_quality::setDirectBeamYPxl(float const value)
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{
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m_Direct_beam_y_pxl = value;
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m_Direct_beam_y_pxlIsSet = true;
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}
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bool Powder_calibration_quality::directBeamYPxlIsSet() const
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|
{
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return m_Direct_beam_y_pxlIsSet;
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}
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void Powder_calibration_quality::unsetDirect_beam_y_pxl()
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|
{
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m_Direct_beam_y_pxlIsSet = false;
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}
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float Powder_calibration_quality::getHeaderDistanceMm() const
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|
{
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|
return m_Header_distance_mm;
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|
}
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void Powder_calibration_quality::setHeaderDistanceMm(float const value)
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|
{
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|
m_Header_distance_mm = value;
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|
m_Header_distance_mmIsSet = true;
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|
}
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|
bool Powder_calibration_quality::headerDistanceMmIsSet() const
|
|
{
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|
return m_Header_distance_mmIsSet;
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|
}
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|
void Powder_calibration_quality::unsetHeader_distance_mm()
|
|
{
|
|
m_Header_distance_mmIsSet = false;
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|
}
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|
float Powder_calibration_quality::getRingSeedDistanceMm() const
|
|
{
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|
return m_Ring_seed_distance_mm;
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|
}
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|
void Powder_calibration_quality::setRingSeedDistanceMm(float const value)
|
|
{
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|
m_Ring_seed_distance_mm = value;
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|
m_Ring_seed_distance_mmIsSet = true;
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|
}
|
|
bool Powder_calibration_quality::ringSeedDistanceMmIsSet() const
|
|
{
|
|
return m_Ring_seed_distance_mmIsSet;
|
|
}
|
|
void Powder_calibration_quality::unsetRing_seed_distance_mm()
|
|
{
|
|
m_Ring_seed_distance_mmIsSet = false;
|
|
}
|
|
bool Powder_calibration_quality::isTiltRefined() const
|
|
{
|
|
return m_Tilt_refined;
|
|
}
|
|
void Powder_calibration_quality::setTiltRefined(bool const value)
|
|
{
|
|
m_Tilt_refined = value;
|
|
m_Tilt_refinedIsSet = true;
|
|
}
|
|
bool Powder_calibration_quality::tiltRefinedIsSet() const
|
|
{
|
|
return m_Tilt_refinedIsSet;
|
|
}
|
|
void Powder_calibration_quality::unsetTilt_refined()
|
|
{
|
|
m_Tilt_refinedIsSet = false;
|
|
}
|
|
float Powder_calibration_quality::getTiltSignificance() const
|
|
{
|
|
return m_Tilt_significance;
|
|
}
|
|
void Powder_calibration_quality::setTiltSignificance(float const value)
|
|
{
|
|
m_Tilt_significance = value;
|
|
m_Tilt_significanceIsSet = true;
|
|
}
|
|
bool Powder_calibration_quality::tiltSignificanceIsSet() const
|
|
{
|
|
return m_Tilt_significanceIsSet;
|
|
}
|
|
void Powder_calibration_quality::unsetTilt_significance()
|
|
{
|
|
m_Tilt_significanceIsSet = false;
|
|
}
|
|
org::openapitools::server::model::Powder_calibration_fit_sigma Powder_calibration_quality::getFitSigma() const
|
|
{
|
|
return m_Fit_sigma;
|
|
}
|
|
void Powder_calibration_quality::setFitSigma(org::openapitools::server::model::Powder_calibration_fit_sigma const& value)
|
|
{
|
|
m_Fit_sigma = value;
|
|
m_Fit_sigmaIsSet = true;
|
|
}
|
|
bool Powder_calibration_quality::fitSigmaIsSet() const
|
|
{
|
|
return m_Fit_sigmaIsSet;
|
|
}
|
|
void Powder_calibration_quality::unsetFit_sigma()
|
|
{
|
|
m_Fit_sigmaIsSet = false;
|
|
}
|
|
org::openapitools::server::model::Powder_calibration_spot_check Powder_calibration_quality::getSpotCrossCheck() const
|
|
{
|
|
return m_Spot_cross_check;
|
|
}
|
|
void Powder_calibration_quality::setSpotCrossCheck(org::openapitools::server::model::Powder_calibration_spot_check const& value)
|
|
{
|
|
m_Spot_cross_check = value;
|
|
m_Spot_cross_checkIsSet = true;
|
|
}
|
|
bool Powder_calibration_quality::spotCrossCheckIsSet() const
|
|
{
|
|
return m_Spot_cross_checkIsSet;
|
|
}
|
|
void Powder_calibration_quality::unsetSpot_cross_check()
|
|
{
|
|
m_Spot_cross_checkIsSet = false;
|
|
}
|
|
|
|
|
|
} // namespace org::openapitools::server::model
|
|
|