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Vibrational spectra plot #1429

Merged
merged 10 commits into from
Dec 14, 2023
Merged

Vibrational spectra plot #1429

merged 10 commits into from
Dec 14, 2023

Commits on Oct 30, 2023

  1. Initial vibrational spectra plot 

    - Needs spectral broadening
- Needs to be general for other spectra
- ChartDialog needs more methods

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Oct 30, 2023
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  2. More work including spectral shift, scale and blur 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Oct 30, 2023
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  3. Ensure chart is only compiled with USE_VTK 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Oct 30, 2023
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Commits on Dec 6, 2023

  1. Merge branch 'master' of github.com:openchemistry/avogadrolibs into i… 

    …r-spectra-plot

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 6, 2023
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Commits on Dec 14, 2023

  1. Split spectra plot and vibrations extensions 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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  2. Add support for read / write of spectra 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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  3. Remove some debugging statements 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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  4. Connect default axes and settings including line width, etc. 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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  5. Fixup some minor CodeQL notes 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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  6. Fix writing spectra to JSON 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Dec 14, 2023
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