coincided atoms handling #43
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nin-jin
reviewed
Jul 17, 2024
matinfio/player/player.web.ts
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| } ) | ||
| hashes[ hash ] = render.atoms.length - 1 | ||
| pos2els[ hash ] = [ crystal.atoms[ i ].symbol ] | ||
| const color = ($optimade_cifplayer_matinfio_chemical_elements.JmolColors as any)[ atom.symbol ] || '#FFFF00' |
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🟠 Лучше либо сузить типизацию atom.symbol до фиксированного набора значений, либо типизировать словарь, позволив принимать любые строки. Лучше первое, ибо набор химических элементов редко расширяется.
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Сделал любые строки
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проблема в том, что химики любят придумывать свои условные "химические элементы", например, обозначения функциональных групп
nin-jin
approved these changes
Jul 17, 2024
nin-jin
approved these changes
Jul 29, 2024
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fix #42