refactor: Start removing line parser#2544
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trisyoungs
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Jun 30, 2026
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On the one hand, this is an easy win because LineParser was truly awful, but I think this has turned out excellent and makes our input parsing feel very proper indeed!
Bunch of small comments, mostly formatting etc.
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| TEST(ApplicativeTest, DLPOLYStructure) | ||
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| using namespace Parsers; |
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Here, wouldn't this be better at the top of the file rather than repeated in every TEST?
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This PR removes the LineParser dependency in
ImportDLPOLYStructureNode,ImportDLPOLYTrajectoryNode,ImportDLPUtilsPDensNode,ImportDLPUtilsSurfaceNode, andImportMoscitoStructureNode.It also fixes up
MDNodeto use the cleaner =std::format_to= for file output.The one bit that I'm not happy about is that I needed to adjust the tolerance on
CosNTorsionForcesTest::POEin order to pass the tests. I only had to change the tolerance from 0.006 to 0.0062 and the actual value is in the thousands, but I'm always concerned when a test like this needs changing. I know that the change comes from the new Moscito parser and I suspect that it's a slight difference in how doubles are parsed, which can result in some differences in the lowest bits.