<RDKitStructure data="CC(=O)NCC(C)C1=CC=CC=C1" style="publication" height={300} />

// 使用动态导入和懒加载
const RDKitStructure = dynamic(() => import('./chemistry/RDKitStructure'), { ssr: false })

import { useChemistry } from '@/hooks/useChemistry'

const { isLoaded, smilesToSVG, molToSVG } = useChemistry()

function detectChemicalFormat(data: string) {
  if (data.includes('SMILES') || data.match(/^[BCNOSPFIPClBr@=\+\-\[\]\(\)]+$/)) {
    return 'smiles'
  }
  if (data.includes('M  END') || data.includes('V2000')) {
    return data.includes('$$$$') ? 'sdf' : 'mol'
  }
  return 'unknown'
}

function calculateSimilarity(fp1: string, fp2: string) {
  const set1 = new Set(
    fp1
      .split('')
      .map((bit, i) => (bit === '1' ? i : null))
      .filter(Boolean)
  )
  const set2 = new Set(
    fp2
      .split('')
      .map((bit, i) => (bit === '1' ? i : null))
      .filter(Boolean)
  )

  const intersection = new Set([...set1].filter((x) => set2.has(x)))
  const union = new Set([...set1, ...set2])

  return intersection.size / union.size
}

const molecules = [
  { id: 'aspirin', smiles: 'CC(C)OC1=CC=C(C=C1)C(=O)O' },
  { id: 'caffeine', smiles: 'CN1C=NC2=C1C(=O)N(C(=O)N2C)C' },
]

const fingerprints = await Promise.all(
  molecules.map(async (mol) => ({
    ...mol,
    fingerprint: await getMorganFingerprint(mol.smiles),
  }))
)