pubchem/lib-esm/compoundData/computed/getComputedData.js

pubchem simplifies the data retrieval from the PubChem API.

import { getComplexity } from './getComplexity';
import { getFormalCharge } from './getFormalCharge';
import { getHeavyAtomCount } from './getHeavyAtomCount';
import { getHydrogenBondAcceptorCount } from './getHydrogenBondAcceptorCount';
import { getHydrogenBondDonorCount } from './getHydrogenBondDonorCount';
import { getRotableBondCount } from './getRotableBondCount';
import { getTPSA } from './getTPSA';
import { getxLogP3 } from './getxLogP3';
/**
 * Returns an object of computed data
 *
 * @param data Data of a compound data request to the PubChem API
 * @returns Object of computed data
 */
export function getComputedData(data) {
    return {
        hydrogenBondDonorCount: getHydrogenBondDonorCount(data),
        hydrogenBondAcceptorCount: getHydrogenBondAcceptorCount(data),
        rotableBondCount: getRotableBondCount(data),
        heavyAtomCount: getHeavyAtomCount(data),
        formalCharge: getFormalCharge(data),
        complexity: getComplexity(data),
        tpsa: getTPSA(data),
        xLogP3: getxLogP3(data),
    };
}
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