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Enhanced molecular properties dialog #1754

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@ghutchis ghutchis changed the title Enhanced molecular properties dialog WIP: Enhanced molecular properties dialog Oct 28, 2024
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ghutchis commented Oct 28, 2024

  • Add total charge and spin
  • Allow molecule name, charge, and spin to be editable
  • Only request a molecule name network request when the molecule is changed

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avo-bot commented Oct 28, 2024

This pull request has been mentioned on Avogadro Discussion. There might be relevant details there:

https://discuss.avogadro.cc/t/october-2024-live-updates/6373/1

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Here are the build results
macOS.dmg
Win64.exe
Artifacts will only be retained for 90 days.

@ghutchis ghutchis changed the title WIP: Enhanced molecular properties dialog Enhanced molecular properties dialog Oct 31, 2024
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Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

1 similar comment
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Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

@ghutchis ghutchis mentioned this pull request Oct 31, 2024
5 tasks
@ghutchis ghutchis linked an issue Oct 31, 2024 that may be closed by this pull request
5 tasks
return QVariant();

int row = index.row();
int col = index.column();

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Code scanning / CodeQL

Unused local variable Note

Variable col is not used.
Comment on lines +393 to +396
// TODO check for homo, lumo, or somo energies
// m_propertiesCache.setValue("homoEnergy", energy);
// m_propertiesCache.setValue("lumoEnergy", energy);
// m_propertiesCache.setValue("somoEnergy", energy);

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.
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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

5 similar comments
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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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github-actions bot commented Nov 1, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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ghutchis commented Nov 3, 2024

I'm going to merge this, then fix the unrelated Windows build issue.

@ghutchis ghutchis merged commit ec79e7e into OpenChemistry:master Nov 3, 2024
18 of 22 checks passed
@ghutchis ghutchis deleted the enhanced-molecular-properties-dialog branch November 3, 2024 15:03
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github-actions bot commented Nov 3, 2024

Here are the build results
macOS.dmg
Artifacts will only be retained for 90 days.

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Display of extended properties
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