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NETA generation includes root element match at every level #1689

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trisyoungs opened this issue Nov 7, 2023 · 0 comments · Fixed by #1803
Closed

NETA generation includes root element match at every level #1689

trisyoungs opened this issue Nov 7, 2023 · 0 comments · Fixed by #1803
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Scope: Forcefields Related to forcefield implementation or functional forms Type: Bug General bug / issue

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@trisyoungs
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Describe the bug
We have an option NETADefinition::NETACreationFlags::IncludeRootElement when generating NETA definitions, which is supposed to enable adding a flag to the very root of the description which matches a specific element. However, this information gets added to every sub-definition (within ( and )) and which should be invalid.
@trisyoungs trisyoungs added the Type: Bug General bug / issue label Nov 7, 2023
@trisyoungs trisyoungs added the Scope: Forcefields Related to forcefield implementation or functional forms label Nov 14, 2023
@trisyoungs trisyoungs mentioned this issue Feb 19, 2024
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@github-project-automation github-project-automation bot moved this to Complete in Overview Aug 30, 2024
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Labels
Scope: Forcefields Related to forcefield implementation or functional forms Type: Bug General bug / issue
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1689 Root Elements in Generated NETA disorderedmaterials/dissolve
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@trisyoungs