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Do not support = for bond in chemical name
1 parent 558e6e7 commit 119e095

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backend/src/acidwatch_api/models/gibbs_minimization_model.py

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@@ -147,7 +147,6 @@ class GibbsMinimizationModelAdapter(BaseAdapter):
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"(CH3)2CHCH3": "i-butane",
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"CH3CH2CH2CH3": "n-butane",
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"CH3(CH2)3CH3": "n-pentane",
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"CH2=CH2": "C2H4",
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"C6H5CH3": "toluene",
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"C6H4(CH3)2": "o-Xylene",
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}

frontend/src/constants/formula_map.tsx

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@@ -37,7 +37,6 @@ export const FORMULA_TO_NAME_MAPPER: Record<string, string> = {
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"(CH3)2CHCH3": "i-butane", // 6360, C4H10
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CH3CH2CH2CH3: "n-butane", // 7843, C4H10
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"CH3(CH2)3CH3": "n-pentane", // 8003, C5H12
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"CH2=CH2": "ethylene", // 6325, C2H4
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C6H5CH3: "toluene", // 1140, C7H8
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"C6H4(CH3)2": "o-Xylene", // 7237, C8H10
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};

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