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Resolve reaction dataset_socket implementation with associated entry class#915

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bennybp merged 1 commit into
MolSSI:mainfrom
jaclark5:reaction_socket
Mar 28, 2025
Merged

Resolve reaction dataset_socket implementation with associated entry class#915
bennybp merged 1 commit into
MolSSI:mainfrom
jaclark5:reaction_socket

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Closes #914

Description

Provide if statement to detect one of the two accepted input types for Reaction Entry Stoichiometry:
stoichiometries: List[Union[ReactionDatasetEntryStoichiometry, Tuple[float, Union[int, Molecule]]]]

Status

  • Code base linted
  • Ready to go

@jaclark5 jaclark5 marked this pull request as ready for review March 25, 2025 13:47
@bennybp bennybp merged commit 04a522e into MolSSI:main Mar 28, 2025
@jaclark5 jaclark5 deleted the reaction_socket branch March 30, 2025 23:33
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Reaction Dataset Socket does not support ReactionDatasetEntryStoichiometry class

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