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refactor: Import structure nodes#2427

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trisyoungs merged 17 commits into
develop2from
dissolve2/import-structure-nodes
May 13, 2026
Merged

refactor: Import structure nodes#2427
trisyoungs merged 17 commits into
develop2from
dissolve2/import-structure-nodes

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@trisyoungs trisyoungs commented May 5, 2026

This PR effectively moves all code from CoordinateImportFileFormat into individual nodes which output a Structure object. All of the new unit tests are updated accordingly.

The old CoordinateImportFileFormat is not removed as it is still depended on by TrajectoryImportFileFormat (to be converted in a follow-up PR).

Base automatically changed from dissolve2/structure-class to develop2 May 6, 2026 10:17
@trisyoungs trisyoungs force-pushed the dissolve2/import-structure-nodes branch from 9647cb3 to 3fb5af1 Compare May 6, 2026 15:41
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@RobBuchananCompPhys RobBuchananCompPhys left a comment

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Looks great 👍 ...it would be nice to see the new Node::message interface being used more widely (instead of Messenger::print - unless this is strictly necessary for some reason?)

Comment thread src/nodes/importDLPolyStructure.cpp Outdated
Comment thread src/nodes/importDLPolyStructure.cpp Outdated
Comment thread src/nodes/importEPSRAtoStructure.cpp Outdated
Comment thread src/nodes/importEPSRAtoStructure.cpp Outdated
Comment thread src/nodes/importMoscitoStructure.cpp Outdated
Comment thread src/nodes/importMoscitoStructure.cpp Outdated
Comment thread src/classes/structure.h
Comment thread src/classes/structure.cpp
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Looks great 👍 ...it would be nice to see the new Node::message interface being used more widely (instead of Messenger::print - unless this is strictly necessary for some reason?)

Ah - absolutely! Missed those going through.

trisyoungs and others added 2 commits May 8, 2026 16:19
Co-authored-by: RobBuchanan <106311829+RobBuchananCompPhys@users.noreply.github.com>
@trisyoungs trisyoungs merged commit d2ea09f into develop2 May 13, 2026
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@trisyoungs trisyoungs deleted the dissolve2/import-structure-nodes branch May 13, 2026 10:42
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2 participants