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Hill notation validation turning around C and H #581

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CasperWA opened this issue Nov 2, 2020 · 0 comments · Fixed by #582
Closed

Hill notation validation turning around C and H #581

CasperWA opened this issue Nov 2, 2020 · 0 comments · Fixed by #582
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bug Something isn't working models For issues related to the pydantic models directly priority/high Issue or PR with a consensus of high priority validator Related to the OPTIMADE validator

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CasperWA commented Nov 2, 2020

In Hill notation the first element should be carbon, then hydrogen and the every other element in alphabetical order.

Currently, we are validating formulas wrongly, by expecting first hydrogen, then carbon, and finally (as it should be) every other element in alphabetical order.
@CasperWA CasperWA added bug Something isn't working priority/high Issue or PR with a consensus of high priority validator Related to the OPTIMADE validator models For issues related to the pydantic models directly labels Nov 2, 2020
@CasperWA CasperWA self-assigned this Nov 2, 2020
@CasperWA CasperWA mentioned this issue Nov 2, 2020
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bug Something isn't working models For issues related to the pydantic models directly priority/high Issue or PR with a consensus of high priority validator Related to the OPTIMADE validator
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Fix Hill ordering validation CasperWA/optimade-python-tools
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