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Assign colors by partial charges #986

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merged 3 commits into from
Jul 1, 2022

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  • Add tinycolormap to handle colormap code

BSD-licensed
https://github.com/yuki-koyama/tinycolormap

Signed-off-by: Geoff Hutchison geoff.hutchison@gmail.com

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* Add tinycolormap to handle colormap code

BSD-licensed
https://github.com/yuki-koyama/tinycolormap

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
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This still needs more work to bring up a dialog for picking a charge model and a color map.

(Also the color maps would be nice for index colors and color-by-distance, etc.)

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Screen Shot 2022-06-30 at 6 21 23 PM

Aspirin with Coolwarm color map

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Actually, the fastest way to do this is to forget about the colormap icons for now...

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github-actions bot commented Jul 1, 2022

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

@ghutchis ghutchis changed the title WIP: Support for assign colors by partial charges (now Gasteiger) WIP: Support for assign colors by partial charges Jul 1, 2022
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@ghutchis ghutchis changed the title WIP: Support for assign colors by partial charges Assign colors by partial charges Jul 1, 2022
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ghutchis commented Jul 1, 2022

As a bonus, adds colormap dialogs for color-by-distance and color-by-index

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github-actions bot commented Jul 1, 2022

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

@ghutchis ghutchis merged commit 4a29ee6 into OpenChemistry:master Jul 1, 2022
@ghutchis ghutchis deleted the charge-colormaps branch July 1, 2022 18:15
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github-actions bot commented Jul 1, 2022

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

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