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AMORPH 1.1.0-rc.2

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@github-actions github-actions released this 26 Oct 22:10
· 8 commits to master since this release
9a57d20

The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.

Added

  • «Прогоны» shows the estimate of the run while the sampler works: the
    amorphous fraction with its 50% and 90% intervals from all the saves so
    far with their posterior weights, how it moved over the saves, the
    effective sample size, log(Z) and whether the estimate has settled; and
    the background, the amorphous halo, the crystalline peaks and the model,
    each a layer that can be hidden, for the posterior mean so far, the best
    sample or the last saved one, with their levels among those of the
    sampler. It used to show only the last saved sample, which once the
    levels are built is usually from a low level and fits the data worse
    than the posterior.

  • «Сравнение»: the options file and the saves of each run, its effective
    sample size, log(Z) against the best run of the same data and settings,
    and its checks; a run 5 nats or more below the best did not converge
    and is unticked. The ticked runs make a joint report (the fraction of
    all the seeds together, the spread of their medians, warnings, a line
    for a paper) and a figure, in the style of doc/figures/xrd_fit.tex or
    with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
    PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
    installed, or PNG. «Добавить папку…» adds every archive of a folder.

  • «Данные для PGFPlots…» on «Результаты» writes the tables of
    export_pgf.py for the run.

  • doc/figures/xrd_fit.tex also builds SVG: latex and dvisvgm.

  • src/amorph_seeds.py pools the seeds of a sample;
    export_pgf.write_tables writes the tables from curves in memory;
    src/amorph_tex.py writes the folders of the figures and builds them.

  • «Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
    folders dropped on the window) opens runs done earlier or on another
    computer from their folders, many at a time: each on «Прогоны» with its
    output and its estimate rebuilt from its saves, on «Результаты» and on
    «Сравнение». A run without an up-to-date archive is post-processed.

  • A splash screen shows as soon as the GUI starts, with the step under way:
    the first start of a newly unpacked package can take a minute while the
    system checks its files, and without a window the program was started
    again and again. The README says so too.

Fixed

  • The axes of the plots of the GUI no longer scale numbers with an SI
    prefix: the histogram of the fraction read 200-800 "(x0.001)".
  • The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
    «Настройки» to a few letters, and its hint was cut off; the table of
    «Прогоны» scrolled sideways; the empty plot of the fraction ran from
    -0.4 to 0.4.

Build and CI

  • A tag v-rc. (or -beta., -alpha.) makes a GitHub
    pre-release of the version, with the notes of the version.