[us-commits] [ehb54/ultrascan3] 72add4: GMP-ABDE: 5. ANALYSIS -- honor AProfile's setting ...

aaron-auc noreply at github.com
Fri Oct 31 14:53:03 MDT 2025


  Branch: refs/heads/534-enhancement-version-upgrade
  Home:   https://github.com/ehb54/ultrascan3
  Commit: 72add4bba839a101a1cd875f5ff266fa9a91ccc9
      https://github.com/ehb54/ultrascan3/commit/72add4bba839a101a1cd875f5ff266fa9a91ccc9
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-09 (Thu, 09 Oct 2025)

  Changed paths:
    M programs/us_mwl_species_fit/us_mwl_species_fit.cpp
    M programs/us_mwl_species_fit/us_mwl_species_fit.h

  Log Message:
  -----------
  GMP-ABDE: 5. ANALYSIS -- honor AProfile's setting (channels selection) in MWL-species fit and normalization...


  Commit: 60b0a4d52d2f57ac00206f32b33f7a01c943bf8e
      https://github.com/ehb54/ultrascan3/commit/60b0a4d52d2f57ac00206f32b33f7a01c943bf8e
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-10 (Fri, 10 Oct 2025)

  Changed paths:
    M programs/us_experiment/us_exp_utils.cpp

  Log Message:
  -----------
  Merge pull request #276 from ehb54/master

Bring to current master


  Commit: 019da7c3ca727d8f5109dca514e5dcd42ce124dd
      https://github.com/ehb54/ultrascan3/commit/019da7c3ca727d8f5109dca514e5dcd42ce124dd
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-20 (Mon, 20 Oct 2025)

  Changed paths:
    M gui/us_buffer_gui.cpp
    M gui/us_passwd.cpp
    M gui/us_run_details2.cpp
    M gui/us_scan_excl_gui.cpp
    M gui/us_table.cpp
    M gui/us_widgets_dialog.cpp
    M programs/us_2dsa/us_2dsa_process.cpp
    M programs/us_2dsa/us_show_norm.cpp
    M programs/us_autoflow_analysis/us_autoflow_analysis.cpp
    M programs/us_ddist_combine/us_ddist_combine.cpp
    M programs/us_ddist_combine/us_select_rundd.cpp
    M programs/us_density_match/us_density_match.cpp
    M programs/us_edit/us_edit.cpp
    M programs/us_edit/us_select_lambdas.cpp
    M programs/us_experiment/us_exp_utils.cpp
    M programs/us_fematch/us_adv_dmgamc.cpp
    M programs/us_fematch/us_dmga_mc_stats.cpp
    M programs/us_fematch/us_fematch.cpp
    M programs/us_fit_meniscus/us_fit_meniscus.cpp
    M programs/us_ga_init/us_ga_init.cpp
    M programs/us_ga_init/us_solutedata.cpp
    M programs/us_ga_init/us_solutedata.h
    M programs/us_globalequil/us_eqreporter.cpp
    M programs/us_globalequil/us_long_messagebox.cpp
    M programs/us_integral/us_integral.cpp
    M programs/us_manage_data/us_data_tree.cpp
    M programs/us_manage_data/us_manage_data.cpp
    M programs/us_modelmetrics/us_modelmetrics.cpp
    M programs/us_mpi_analysis/2dsa_master.cpp
    M programs/us_mpi_analysis/dmga_master.cpp
    M programs/us_mpi_analysis/dmga_worker.cpp
    M programs/us_mpi_analysis/ga_master.cpp
    M programs/us_mpi_analysis/ga_worker.cpp
    M programs/us_mpi_analysis/parallel_masters.cpp
    M programs/us_mpi_analysis/pcsa_master.cpp
    M programs/us_mpi_analysis/pmasters_compjob.cpp
    M programs/us_mpi_analysis/us_mpi_analysis.cpp
    M programs/us_mwl_spectra/us_mwl_spectra.cpp
    M programs/us_mwlr_viewer/us_mwlr_viewer.cpp
    M programs/us_pcsa/us_adv_analysis_pc.cpp
    M programs/us_pcsa/us_pcsa_process.cpp
    M programs/us_pseudo3d_combine/us_pseudo3d_combine.cpp
    M programs/us_rotor_calibration/us_rotor_calibration.cpp
    M programs/us_vhw_combine/us_select_runid.cpp
    M programs/us_xpn_viewer/us_xpn_viewer_gui.cpp
    M test/modelbuilder/us_modelbuilder.cpp
    M utils/us_hardware.cpp
    M utils/us_hydrosim.h
    M utils/us_xpn_data.cpp

  Log Message:
  -----------
  Lukas/qt6 qsort (#288)

* Replace deprecated `QFontMetrics::width()` with `QFontMetrics::horizontalAdvance()` in `us_passwd.cpp` for compatibility with Qt 5.11+.

* Replace deprecated `QFontMetrics::width()` with `QFontMetrics::horizontalAdvance()` in `us_scan_excl_gui.cpp` for Qt 5.11+ compatibility.

* Replace deprecated `QFontMetrics::width()` with `QFontMetrics::horizontalAdvance()` in `us_widgets_dialog.cpp` for Qt 5.11+ compatibility.

* Replace `qSort` with `std::sort` across all files for consistency and modern C++ standards compliance. Updated related comments to reflect changes.

* Fix typo in header guard macro name in `us_hydrosim.h`


  Commit: 989b56b797288947df2fec2506b18a7244f9bc06
      https://github.com/ehb54/ultrascan3/commit/989b56b797288947df2fec2506b18a7244f9bc06
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-20 (Mon, 20 Oct 2025)

  Changed paths:
    M programs/us_reporter_gmp/us_reporter_gmp.cpp

  Log Message:
  -----------
  GMP Reporter -- ind. combined plots in loop....


  Commit: 16ab6ce8ca660172b0ac78c0e8309df85225253e
      https://github.com/ehb54/ultrascan3/commit/16ab6ce8ca660172b0ac78c0e8309df85225253e
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-20 (Mon, 20 Oct 2025)

  Changed paths:
    M gui/us_report_gui.cpp

  Log Message:
  -----------
  GMP: 8. AProfile: ReportItems -- allow for scienctific notations....


  Commit: 3f73b4091ff487ed34f20940b3848f81fa05c856
      https://github.com/ehb54/ultrascan3/commit/3f73b4091ff487ed34f20940b3848f81fa05c856
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-20 (Mon, 20 Oct 2025)

  Changed paths:
    M gui/us_report_gui.cpp

  Log Message:
  -----------
  [1]GMP: 8. AProfile: ReportItems -- allow for scienctific notations....


  Commit: 23642c68a2458e32859565ace8c19acc79c81f79
      https://github.com/ehb54/ultrascan3/commit/23642c68a2458e32859565ace8c19acc79c81f79
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-20 (Mon, 20 Oct 2025)

  Changed paths:
    M gui/us_report_gui.cpp

  Log Message:
  -----------
  [2]GMP: 8. AProfile: ReportItems -- allow for scienctific notations....ush


  Commit: 2c6055c8e24ad4e4f308aba6baa316732c199ac6
      https://github.com/ehb54/ultrascan3/commit/2c6055c8e24ad4e4f308aba6baa316732c199ac6
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M programs/us_config/us_config.cpp
    M programs/us_ddist_combine/us_select_rundd.cpp
    M programs/us_dmga_init/us_dmga_init.cpp
    M programs/us_manage_data/us_data_tree.cpp
    M programs/us_pcsa/us_pcsa_process.cpp
    M programs/us_pcsa/us_rpscan.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M test/modelbuilder/us_modelbuilder.cpp
    M utils/us_timer.cpp
    M utils/us_timer.h

  Log Message:
  -----------
  Lukas/qt6 q time (#289)

* Replace `QTime` with `QElapsedTimer` across multiple source files for enhanced timing precision and consistency. Update related method signatures and data structures as needed to align with the new timer implementation.

* Replace deprecated `QFontMetrics::width()` with `QFontMetrics::horizontalAdvance()` in `us_config.cpp` for Qt 5.11+ compatibility and better text measurement handling.


  Commit: dbda7b82c9f80e4698a98012037116cfabaaa824
      https://github.com/ehb54/ultrascan3/commit/dbda7b82c9f80e4698a98012037116cfabaaa824
  Author: SophiaBird95 <135044923+SophiaBird95 at users.noreply.github.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M programs/us_mwl_species_fit/us_mwl_species_fit.cpp
    M programs/us_mwl_species_fit/us_mwl_species_fit.h

  Log Message:
  -----------
  Merge pull request #270 from ehb54/alexey-dev-issue574

GMP-ABDE: 5. ANALYSIS -- honor AProfile's setting (channels selection) for ANALYSIS && REPORT stages


  Commit: 83a8bbdce557a43ae4881196a8b7e72d19bd2de8
      https://github.com/ehb54/ultrascan3/commit/83a8bbdce557a43ae4881196a8b7e72d19bd2de8
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M gui/us_plot.cpp
    M programs/us_2dsa/us_2dsa_process.h
    M programs/us_audit_trail_gmp/us_audit_trail_gmp.cpp
    M programs/us_esigner_gmp/us_esigner_gmp.cpp
    M programs/us_mwl_species_fit/us_mwl_sf_plot3d.cpp
    M programs/us_pcsa/us_pcsa_process.h
    M programs/us_reporter/us_reporter.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M us_somo/develop/src/us_editor.cpp
    M us_somo/develop/src/us_hydrodyn.cpp
    M us_somo/develop/src/us_hydrodyn_batch.cpp
    M us_somo/develop/src/us_hydrodyn_bd.cpp
    M us_somo/develop/src/us_hydrodyn_comparative.cpp
    M us_somo/develop/src/us_hydrodyn_saxs.cpp

  Log Message:
  -----------
  Lukas/qt6 q printer (#290)

* Update deprecated Qt APIs in `us_plot.cpp` and `US_PlotPicker`

Replaced `QPrinter::setOrientation()` with `QPrinter::setPageOrientation()` and migrated from `QTime` to `QElapsedTimer` for mouse event handling. Improves compatibility with modern Qt versions and enhances code consistency.

* Migrate `QTime` to `QElapsedTimer` in `us_2dsa_process.h` for modern Qt compatibility and improved timing accuracy.

* Migrate `QTime` to `QElapsedTimer` in `us_pcsa_process.h` for modern Qt compatibility and improved timing precision.

* Replace deprecated `QPrinter` methods with modern equivalents for improved Qt compatibility.

* Replace deprecated `QPrinter` methods with modern `QPageSize` and `QPageLayout` equivalents for improved Qt compatibility.

* Replace `QPrinter::setPageSize(QPrinter::Letter)` with `QPrinter::setPageSize(QPageSize(QPageSize::Letter))` across multiple files for improved Qt compatibility.

* Replace deprecated `QPrinter::setPageSize()` usage with `QPageSize` constructor for compatibility with modern Qt versions.


  Commit: b33cd87e51169ea4a1a8b4eb21dc602abbc56988
      https://github.com/ehb54/ultrascan3/commit/b33cd87e51169ea4a1a8b4eb21dc602abbc56988
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M doc/manual/advanced_config.body
    M gui/us_analyte_gui.cpp
    M gui/us_plot.cpp
    M gui/us_sassoc.cpp
    M programs/us/us.cpp
    M programs/us_autoflow_analysis/us_autoflow_analysis.cpp
    M programs/us_colorgradient/us_colorgradient.cpp
    M programs/us_convert/us_convert.cpp
    M programs/us_convert/us_convert_gui.cpp
    M programs/us_experiment/us_exp_utils.cpp
    M programs/us_fds_filemanager/us_fds_filemanager.cpp
    M programs/us_fit_meniscus/us_fit_meniscus.cpp
    M programs/us_ga_init/us_solutedata.cpp
    M programs/us_helpdaemon/us_helpdaemon.cpp
    M programs/us_modelmetrics/us_modelmetrics.cpp
    M programs/us_mwl_species_fit/us_mwl_sf_plot3d.cpp
    M programs/us_mwlr_viewer/us_mwlr_viewer.cpp
    M programs/us_pseudo_absorbance/us_add_refScan.cpp
    M programs/us_ramp/us_ramp_gui.cpp
    M programs/us_rotor_calibration/us_rotor_calibration.cpp
    M programs/us_xpn_viewer/us_xpn_viewer_gui.cpp
    M test/modelbuilder/us_modelbuilder.cpp
    M us_somo/develop/src/qwt/scrollzoomer.cpp
    M utils/us_crypto.cpp
    M utils/us_db2.cpp

  Log Message:
  -----------
  Lukas/qt6 qendl qstring qcolor::light qproccess::start (#291)

* Add empty argument list to `process->start` for consistency and compatibility

* Replace deprecated `QString::SkipEmptyParts` with `Qt::SkipEmptyParts` for compatibility with modern Qt versions across all affected files.

* Replace `endl` with `Qt::endl` in `us_modelbuilder.cpp` for compatibility with Qt's modern streaming API.

* Replace `QColor::light()` with `QColor::lighter()` in `us_xpn_viewer_gui.cpp` for compatibility with modern Qt API.

* Replace deprecated use of `QPixmap*` with modern `QPixmap` by value in `us_colorgradient.cpp` for compatibility with updated Qt API.

* Replace deprecated `swap()` with `swapItemsAt()` across all affected files for compatibility with modern Qt API.

* Replace deprecated `mysql_ssl_set()` with `mysql_optionsv()` for SSL configuration in `us_db2.cpp` to align with modern MySQL API.

* Disable `MYSQL_OPT_SSL_VERIFY_SERVER_CERT` in `us_db2.cpp` for improved compatibility with specific MySQL setups.

* Document `MYSQL_OPT_SSL_VERIFY_SERVER_CERT` flag in advanced configuration manual.

* Replace deprecated `qsrand()` and `qrand()` with `QRandomGenerator` in `us_crypto.cpp` for compatibility with modern Qt API.

* Replace deprecated `mysql_optionsv()` with `mysql_options()` for SSL configuration in `us_db2.cpp` to align with modern MySQL API.

* Add support for `MYSQL_OPT_SSL_MODE` in `us_db2.cpp` to handle SSL configuration on modern MySQL versions while retaining compatibility with legacy `MYSQL_OPT_SSL_VERIFY_SERVER_CERT`.

* Replace deprecated `Qt::MidButton` with `Qt::MiddleButton` for compatibility with modern Qt API.

* Replace deprecated `QFileDialog::DirectoryOnly` with `QFileDialog::ShowDirsOnly` for compatibility with modern Qt API.

* Use `QRandomGenerator::securelySeeded()` in `us_crypto.cpp` for improved security and modern Qt API compliance.


  Commit: 1a03ab20cc40456ca64dde16388dff6b7868db64
      https://github.com/ehb54/ultrascan3/commit/1a03ab20cc40456ca64dde16388dff6b7868db64
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.h

  Log Message:
  -----------
  [unit conv.]GMP Reporter -- ind. combined plots in loop....


  Commit: 8e826acf1af8661fd6bbf08cc4d75fcdfa258d71
      https://github.com/ehb54/ultrascan3/commit/8e826acf1af8661fd6bbf08cc4d75fcdfa258d71
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-21 (Tue, 21 Oct 2025)

  Changed paths:
    M gui/us_combined_plots_parms_gui.cpp
    M gui/us_report_gui.cpp

  Log Message:
  -----------
  [unit conv.]GMP Reporter -- ind. combined plots in loop: convert units for D, MW properly to display integration ranges; add units memo in ReportItems && Global settings for combined plots guis....


  Commit: ba42be34c9a7147dfdd18b0f1487beade68f6d39
      https://github.com/ehb54/ultrascan3/commit/ba42be34c9a7147dfdd18b0f1487beade68f6d39
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M CMakeLists.txt
    M admin/codeql/docker/local.pri.gui
    M admin/codeql/docker/local.pri.mpi
    M admin/codeql/docker/local.pri.somo
    M gui/us_failed_gmp_run_gui.cpp
    M gui/us_plot.cpp
    M programs/us_analysis_profile/us_analysis_profile.cpp
    M programs/us_autoflow_analysis/us_autoflow_analysis.cpp
    M programs/us_com_project/us_com_project_gui.cpp
    M programs/us_convert/us_convert_gui.cpp
    M programs/us_experiment/us_exp_utils.cpp
    M programs/us_experiment/us_experiment_gui_optima.cpp
    M programs/us_fit_meniscus/us_fit_meniscus.cpp
    M programs/us_globalequil/us_long_messagebox.cpp
    M programs/us_mpi_analysis/us_mpi_analysis.cpp
    M programs/us_mpi_analysis/us_mpi_parse.cpp
    M qwtplot3d/qwtplot3d.pro
    M qwtplot3d/src/qwt3d_mousekeyboard.cpp
    M us_somo/develop/src/us_dirhist.cpp
    M utils/us_link_ssl.cpp
    M utils/us_math2.cpp
    M utils/us_math2.h

  Log Message:
  -----------
  qt6 migration - final touches (#293)

* Fix incorrect bitwise operator in `setFrameStyle` for message box

Corrected `||` to `|` in `setFrameStyle` to ensure proper combination of frame style flags.

* Replace `qrand`/`qsrand` usage with `QRandomGenerator` in `US_Math2` for improved random number generation and modern standards compliance.

* Replace deprecated `QWheelEvent::delta()` with `QWheelEvent::angleDelta().y()` to ensure compatibility with modern Qt versions.

* Refactor `.simplified()` usage to assign returned value explicitly across multiple files for improved readability and consistency.

* Fix missing brackets in conditional check for `pb_scan_excl` visibility

Ensure proper scoping by adding brackets to the conditional block, improving code readability and correctness.

* Define `QT_DISABLE_DEPRECATED_UP_TO` to disable all deprecated functionality in Qt 6.10 and earlier.

* Enable deprecation warnings as errors and define `QT_DISABLE_DEPRECATED_UP_TO` for consistent handling of deprecated functionality across builds.

* Define `QT_DISABLE_DEPRECATED_UP_TO` to disable all deprecated functionality in Qt 6.9 and earlier.

* Replace deprecated `QString::SkipEmptyParts` with `Qt::SkipEmptyParts` to ensure compatibility with modern Qt versions.

* Replace deprecated `QString::SkipEmptyParts` with `Qt::SkipEmptyParts` to ensure compatibility with modern Qt versions.


  Commit: f0b2eeb5fd0214cdb53e4e79eadcd4088bf53345
      https://github.com/ehb54/ultrascan3/commit/f0b2eeb5fd0214cdb53e4e79eadcd4088bf53345
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M programs/us_astfem_sim/us_astfem_sim.cpp

  Log Message:
  -----------
  Enhance directory handling and noise saving logic

Added checks to prevent overwriting existing directories and prompt user for confirmation. Updated saving logic for TI and RI noises.


  Commit: 74cf8fef407532cec7439f4b6fce957a30e11b7f
      https://github.com/ehb54/ultrascan3/commit/74cf8fef407532cec7439f4b6fce957a30e11b7f
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M programs/us_astfem_sim/us_astfem_sim.cpp

  Log Message:
  -----------
  Remove disabling of save button after simulation was saved


  Commit: dc9e6549f27c2f12e35a41d74a9519fac652a318
      https://github.com/ehb54/ultrascan3/commit/dc9e6549f27c2f12e35a41d74a9519fac652a318
  Author: Borries Demeler <7659499+demeler at users.noreply.github.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M programs/us_astfem_sim/us_astfem_sim.cpp

  Log Message:
  -----------
  Merge pull request #294 from ehb54/lukas/us_astfem_sim_saving

Enhance directory handling and noise saving logic


  Commit: 3439e79d5dbf652dc8de9e0ea04d1f8a6ab91124
      https://github.com/ehb54/ultrascan3/commit/3439e79d5dbf652dc8de9e0ea04d1f8a6ab91124
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M programs/us_reporter_gmp/us_reporter_gmp.cpp

  Log Message:
  -----------
  [unit conv.]GMP Reporter -- debug stats; MW & D....


  Commit: 1eb76f7674fa95820ac254061b4539a1ba0b4dc2
      https://github.com/ehb54/ultrascan3/commit/1eb76f7674fa95820ac254061b4539a1ba0b4dc2
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-22 (Wed, 22 Oct 2025)

  Changed paths:
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.h

  Log Message:
  -----------
  [11unit conv.]GMP Reporter -- debug stats; MW & D....


  Commit: e519d6ca64030d2e4f71137b58b6e6f41a0c9a62
      https://github.com/ehb54/ultrascan3/commit/e519d6ca64030d2e4f71137b58b6e6f41a0c9a62
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-23 (Thu, 23 Oct 2025)

  Changed paths:
    M gui/us_combined_plots_parms_gui.cpp
    M gui/us_report_gui.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M utils/us_ana_profile.cpp

  Log Message:
  -----------
  GMP Reporter -- units conv. for s, D20W, MW & D in both global combo- and individual plots; integr. ranges in ind. plots; specify d20W for D in units memo....


  Commit: d351cf7e1466b360b85fb0cac36fe7ec8efa445f
      https://github.com/ehb54/ultrascan3/commit/d351cf7e1466b360b85fb0cac36fe7ec8efa445f
  Author: alexsav815 <alexsav.science at gmail.com>
  Date:   2025-10-23 (Thu, 23 Oct 2025)

  Changed paths:
    M gui/us_report_gui.cpp

  Log Message:
  -----------
  [1]GMP Reporter -- units conv. for s, D20W, MW & D in both global combo- and individual plots; integr. ranges in ind. plots; specify d20W for D in units memo....


  Commit: 4a68235cf595a6ec04a0deb90dd29b8aaaf6f673
      https://github.com/ehb54/ultrascan3/commit/4a68235cf595a6ec04a0deb90dd29b8aaaf6f673
  Author: Borries Demeler <7659499+demeler at users.noreply.github.com>
  Date:   2025-10-23 (Thu, 23 Oct 2025)

  Changed paths:
    M gui/us_combined_plots_parms_gui.cpp
    M gui/us_report_gui.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.h
    M utils/us_ana_profile.cpp

  Log Message:
  -----------
  Merge pull request #292 from ehb54/alexey-dev-issue604

Alexey dev issue604: Report for ind. comb. && Units for [s,D,MW] conversion and memo


  Commit: 08bd6d595eb6426644151df1b6004aa0fd8c2948
      https://github.com/ehb54/ultrascan3/commit/08bd6d595eb6426644151df1b6004aa0fd8c2948
  Author: Lukas Dobler <69309597+doluk at users.noreply.github.com>
  Date:   2025-10-24 (Fri, 24 Oct 2025)

  Changed paths:
    M .github/workflows/codeql-analysis.yml
    M .github/workflows/static-analysis.yml
    M .github/workflows/unit-tests.yml
    M README.md
    M admin/release/buildpkg.pl
    M admin/release/centos7/Dockerfile
    M admin/release/redhat/Dockerfile
    M admin/release/ubuntu/Dockerfile
    M admin/release/ubuntu_qt6/Dockerfile
    M doc/manual/advanced_config.body
    M gui/us_widgets.cpp
    M gui/us_widgets.h
    M programs/us/us.cpp
    M programs/us/us.h
    M programs/us_2dsa/us_2dsa.cpp
    M programs/us_dcdt/us_dcdt.cpp
    M programs/us_mwl_species_fit/us_mwl_species_fit.cpp
    M programs/us_pcsa/us_pcsa.cpp
    M programs/us_second_moment/us_second_moment.cpp

  Log Message:
  -----------
  Lukas/master2main usglobal (#297)

* Update branch references from `master` to `main` across workflows, documentation, and build scripts. Add conditional triggers to workflows for targeted file-path changes, improving efficiency.

* Move user-level synchronization logic to `US_Win::update_user_level()` to ensure master password has only to be entered once

* Let codeql-analysis run no matter the changes

* Implement optional auto-positioning based on `US_Settings::debug_value("auto_positioning")`.

Modified multiple modules to conditionally apply global positioning logic when "auto_positioning" is enabled. Refactored `US_Widgets` to include a `global_positioning` flag and adjusted widget geometry initialization accordingly.

* Update gui/us_widgets.h
* Update programs/us_mwl_species_fit/us_mwl_species_fit.cpp


  Commit: 2569ebda100a0b333a3f529881d53c8771f9aae5
      https://github.com/ehb54/ultrascan3/commit/2569ebda100a0b333a3f529881d53c8771f9aae5
  Author: aaron <aaron at aucsolutions.com>
  Date:   2025-10-28 (Tue, 28 Oct 2025)

  Changed paths:
    M .github/workflows/codeql-analysis.yml
    M .github/workflows/static-analysis.yml
    M .github/workflows/unit-tests.yml
    M CMakeLists.txt
    M README.md
    M admin/codeql/docker/local.pri.gui
    M admin/codeql/docker/local.pri.mpi
    M admin/codeql/docker/local.pri.somo
    M admin/release/buildpkg.pl
    M admin/release/centos7/Dockerfile
    M admin/release/redhat/Dockerfile
    M admin/release/ubuntu/Dockerfile
    M admin/release/ubuntu_qt6/Dockerfile
    M doc/manual/advanced_config.body
    M gui/us_analyte_gui.cpp
    M gui/us_buffer_gui.cpp
    M gui/us_combined_plots_parms_gui.cpp
    M gui/us_failed_gmp_run_gui.cpp
    M gui/us_passwd.cpp
    M gui/us_plot.cpp
    M gui/us_report_gui.cpp
    M gui/us_run_details2.cpp
    M gui/us_sassoc.cpp
    M gui/us_scan_excl_gui.cpp
    M gui/us_table.cpp
    M gui/us_widgets.cpp
    M gui/us_widgets.h
    M gui/us_widgets_dialog.cpp
    M programs/us/us.cpp
    M programs/us/us.h
    M programs/us_2dsa/us_2dsa.cpp
    M programs/us_2dsa/us_2dsa_process.cpp
    M programs/us_2dsa/us_2dsa_process.h
    M programs/us_2dsa/us_show_norm.cpp
    M programs/us_analysis_profile/us_analysis_profile.cpp
    M programs/us_astfem_sim/us_astfem_sim.cpp
    M programs/us_audit_trail_gmp/us_audit_trail_gmp.cpp
    M programs/us_autoflow_analysis/us_autoflow_analysis.cpp
    M programs/us_colorgradient/us_colorgradient.cpp
    M programs/us_com_project/us_com_project_gui.cpp
    M programs/us_config/us_config.cpp
    M programs/us_convert/us_convert.cpp
    M programs/us_convert/us_convert_gui.cpp
    M programs/us_dcdt/us_dcdt.cpp
    M programs/us_ddist_combine/us_ddist_combine.cpp
    M programs/us_ddist_combine/us_select_rundd.cpp
    M programs/us_density_match/us_density_match.cpp
    M programs/us_dmga_init/us_dmga_init.cpp
    M programs/us_edit/us_edit.cpp
    M programs/us_edit/us_select_lambdas.cpp
    M programs/us_esigner_gmp/us_esigner_gmp.cpp
    M programs/us_experiment/us_exp_utils.cpp
    M programs/us_experiment/us_experiment_gui_optima.cpp
    M programs/us_fds_filemanager/us_fds_filemanager.cpp
    M programs/us_fematch/us_adv_dmgamc.cpp
    M programs/us_fematch/us_dmga_mc_stats.cpp
    M programs/us_fematch/us_fematch.cpp
    M programs/us_fit_meniscus/us_fit_meniscus.cpp
    M programs/us_ga_init/us_ga_init.cpp
    M programs/us_ga_init/us_solutedata.cpp
    M programs/us_ga_init/us_solutedata.h
    M programs/us_globalequil/us_eqreporter.cpp
    M programs/us_globalequil/us_long_messagebox.cpp
    M programs/us_helpdaemon/us_helpdaemon.cpp
    M programs/us_integral/us_integral.cpp
    M programs/us_manage_data/us_data_tree.cpp
    M programs/us_manage_data/us_manage_data.cpp
    M programs/us_modelmetrics/us_modelmetrics.cpp
    M programs/us_mpi_analysis/2dsa_master.cpp
    M programs/us_mpi_analysis/dmga_master.cpp
    M programs/us_mpi_analysis/dmga_worker.cpp
    M programs/us_mpi_analysis/ga_master.cpp
    M programs/us_mpi_analysis/ga_worker.cpp
    M programs/us_mpi_analysis/parallel_masters.cpp
    M programs/us_mpi_analysis/pcsa_master.cpp
    M programs/us_mpi_analysis/pmasters_compjob.cpp
    M programs/us_mpi_analysis/us_mpi_analysis.cpp
    M programs/us_mpi_analysis/us_mpi_parse.cpp
    M programs/us_mwl_species_fit/us_mwl_sf_plot3d.cpp
    M programs/us_mwl_species_fit/us_mwl_species_fit.cpp
    M programs/us_mwl_species_fit/us_mwl_species_fit.h
    M programs/us_mwl_spectra/us_mwl_spectra.cpp
    M programs/us_mwlr_viewer/us_mwlr_viewer.cpp
    M programs/us_pcsa/us_adv_analysis_pc.cpp
    M programs/us_pcsa/us_pcsa.cpp
    M programs/us_pcsa/us_pcsa_process.cpp
    M programs/us_pcsa/us_pcsa_process.h
    M programs/us_pcsa/us_rpscan.cpp
    M programs/us_pseudo3d_combine/us_pseudo3d_combine.cpp
    M programs/us_pseudo_absorbance/us_add_refScan.cpp
    M programs/us_ramp/us_ramp_gui.cpp
    M programs/us_reporter/us_reporter.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.cpp
    M programs/us_reporter_gmp/us_reporter_gmp.h
    M programs/us_rotor_calibration/us_rotor_calibration.cpp
    M programs/us_second_moment/us_second_moment.cpp
    M programs/us_vhw_combine/us_select_runid.cpp
    M programs/us_xpn_viewer/us_xpn_viewer_gui.cpp
    M qwtplot3d/qwtplot3d.pro
    M qwtplot3d/src/qwt3d_mousekeyboard.cpp
    M test/modelbuilder/us_modelbuilder.cpp
    M us_somo/develop/src/qwt/scrollzoomer.cpp
    M us_somo/develop/src/us_dirhist.cpp
    M us_somo/develop/src/us_editor.cpp
    M us_somo/develop/src/us_hydrodyn.cpp
    M us_somo/develop/src/us_hydrodyn_batch.cpp
    M us_somo/develop/src/us_hydrodyn_bd.cpp
    M us_somo/develop/src/us_hydrodyn_comparative.cpp
    M us_somo/develop/src/us_hydrodyn_saxs.cpp
    M utils/us_ana_profile.cpp
    M utils/us_crypto.cpp
    M utils/us_db2.cpp
    M utils/us_hardware.cpp
    M utils/us_hydrosim.h
    M utils/us_link_ssl.cpp
    M utils/us_math2.cpp
    M utils/us_math2.h
    M utils/us_timer.cpp
    M utils/us_timer.h
    M utils/us_xpn_data.cpp

  Log Message:
  -----------
  Merge remote-tracking branch 'origin/main' into 534-enhancement-version-upgrade

# Conflicts:
#	programs/us/us.cpp


  Commit: 102666e6eebaafe3144edfce3728a62e33ab053c
      https://github.com/ehb54/ultrascan3/commit/102666e6eebaafe3144edfce3728a62e33ab053c
  Author: aaron <aaron at aucsolutions.com>
  Date:   2025-10-31 (Fri, 31 Oct 2025)

  Changed paths:
    M CMakeLists.txt
    M admin/test/docker/Dockerfile
    M gui/CMakeLists.txt
    M programs/CMakeLists.txt
    A programs/us/CMakeLists.txt
    M programs/us/us.cpp
    M programs/us/us_win_data.h
    A programs/us_2dplot/CMakeLists.txt
    A programs/us_2dsa/CMakeLists.txt
    A programs/us_abde/CMakeLists.txt
    A programs/us_analysis_profile/CMakeLists.txt
    A programs/us_analyte/CMakeLists.txt
    A programs/us_assign_reviewers_gmp/CMakeLists.txt
    A programs/us_astfem_sim/CMakeLists.txt
    A programs/us_audit_trail_gmp/CMakeLists.txt
    A programs/us_buffer/CMakeLists.txt
    A programs/us_buoyancy/CMakeLists.txt
    A programs/us_colorgradient/CMakeLists.txt
    A programs/us_combine_models/CMakeLists.txt
    A programs/us_config/CMakeLists.txt
    A programs/us_convert/CMakeLists.txt
    A programs/us_dcdt/CMakeLists.txt
    A programs/us_ddist_combine/CMakeLists.txt
    A programs/us_density_match/CMakeLists.txt
    A programs/us_dmga_init/CMakeLists.txt
    A programs/us_edit/CMakeLists.txt
    A programs/us_equiltime/CMakeLists.txt
    A programs/us_esigner_gmp/CMakeLists.txt
    A programs/us_export_legacy/CMakeLists.txt
    A programs/us_extinction/CMakeLists.txt
    A programs/us_fds_filemanager/CMakeLists.txt
    M programs/us_fit_meniscus/CMakeLists.txt
    A programs/us_ga_init/CMakeLists.txt
    A programs/us_globalequil/CMakeLists.txt
    A programs/us_grid_editor/CMakeLists.txt
    A programs/us_helpdaemon/CMakeLists.txt
    A programs/us_integral/CMakeLists.txt
    A programs/us_investigator/CMakeLists.txt
    A programs/us_legacy_converter/CMakeLists.txt
    A programs/us_license/CMakeLists.txt
    A programs/us_manage_data/CMakeLists.txt
    A programs/us_model_gui/CMakeLists.txt
    A programs/us_modelmetrics/CMakeLists.txt
    A programs/us_mpi_analysis/CMakeLists.txt
    A programs/us_mwl_species_sim/CMakeLists.txt
    A programs/us_mwl_spectra/CMakeLists.txt
    A programs/us_mwlr_viewer/CMakeLists.txt
    A programs/us_pcsa/CMakeLists.txt
    A programs/us_predict1/CMakeLists.txt
    A programs/us_predict2/CMakeLists.txt
    A programs/us_project/CMakeLists.txt
    A programs/us_pseudo3d_combine/CMakeLists.txt
    A programs/us_pseudo_absorbance/CMakeLists.txt
    A programs/us_ramp/CMakeLists.txt
    A programs/us_reassign_reviewers_gmp/CMakeLists.txt
    A programs/us_reporter/CMakeLists.txt
    A programs/us_rotor/CMakeLists.txt
    A programs/us_rotor_calibration/CMakeLists.txt
    A programs/us_sassoc/CMakeLists.txt
    A programs/us_second_moment/CMakeLists.txt
    A programs/us_solution/CMakeLists.txt
    A programs/us_spectrum/CMakeLists.txt
    A programs/us_tmst_viewer/CMakeLists.txt
    A programs/us_vhw_combine/CMakeLists.txt
    A programs/us_vhw_enhanced/CMakeLists.txt
    A programs/us_xpn_viewer/CMakeLists.txt
    M scripts/bootstrap.sh
    M test-docker.sh
    M test/utils/CMakeLists.txt
    M test/utils/test_us_ana_profile.cpp
    M utils/CMakeLists.txt

  Log Message:
  -----------
  mod: simply build by adding profile config


Compare: https://github.com/ehb54/ultrascan3/compare/3a91742fcd41...102666e6eeba

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