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| @@ -18,6 +18,7 @@ | |||
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| // clang-format off | |||
| const std::vector<std::string> TEMPLATE_SMARTS = { | |||
| <<<<<<< Updated upstream | |||
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this looks like it came from a diff
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rachelnwalker
approved these changes
Apr 5, 2026
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@ZontaNicola there is a merge conflict, I'm pretty sure I could've just accepted current change but ill let you double check! |
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yes, it's the same number of lines, I'm pretty sure accepting current was the right thing to do |
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fixed the templates so its SMILES like the others
now SMARTS will be generated with bond wildcards so they match any bond type
PLEASE DO NOT MODIFY template_smarts.h DIRECTLY
Add your templates to the templates.smi file in this repository. Add one CXSMILES per line, and please do not insert any blank lines.
Commit your changes and create the PR. The CI workflow will run on the new templates and validate them, and once they are approved, they will be automatically added to the header.
For more information please check https://github.com/rdkit/molecular_templates/blob/main/README.md