{"id":38880,"date":"2019-10-31T22:26:31","date_gmt":"2019-10-31T19:26:31","guid":{"rendered":"https:\/\/prohoster.info\/blog\/nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii\/"},"modified":"2019-10-31T22:26:31","modified_gmt":"2019-10-31T19:26:31","slug":"nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii","status":"publish","type":"post","link":"https:\/\/prohoster.info\/it\/blog\/novosti-interneta\/nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii","title":{"rendered":"Un difetto nello script Python potrebbe aver portato a risultati errati in oltre 100 pubblicazioni chimiche","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"

Studente del'universit\u00e0 delle Hawaii ha scoperto<\/a><\/noindex> un problema nello script Python utilizzato per i calcoli spostamento chimico<\/a><\/noindex>, che definisce la struttura chimica della sostanza in esame mediante l'analisi spettro dei segnali tramite risonanza magnetica nucleare<\/a><\/noindex>. Durante la verifica dei risultati di una delle sue ricerche, il dottorando ha notato che l'esecuzione dello script su diversi sistemi operativi con lo stesso set di dati produceva risultati differenti.<\/p>\n

Ad esempio, eseguendo su macOS 10.14 e Ubuntu 16.04, per il set di dati testato, lo script generava<\/a><\/noindex> un valore errato di 172.4 invece di 173.2. Lo script include circa 1000 righe di codice ed \u00e8 utilizzato da chimici dal 2014. L'analisi del codice ha mostrato che l'uscita di un valore errato era dovuta<\/a><\/noindex> differenze nella ordinazione dei file nei diversi sistemi operativi. Gli autori dello script supponevano che la funzione «glob()<\/a><\/noindex>» restituisca sempre file ordinati per nome, mentre nella documentazione di glob si specifica che l'ordine di output non \u00e8 garantito. La correzione \u00e8 consistita nell'aggiungere list_of_files.sort() dopo la chiamata a glob().<\/p>\n

\"Un<\/a><\/noindex><\/center><\/p>\n

Il problema riscontrato ha messo in dubbio la correttezza di oltre 100 pubblicazioni in chimica, i cui risultati erano basati su uno spostamento chimico calcolato da uno script. Il numero esatto di ricerche che hanno utilizzato lo script non \u00e8 noto, ma la pubblicazione con il suo codice \u00e8 stata citata in 158 lavori. Gli autori di questi articoli sono stati invitati a valutare l'affidabilit\u00e0 dello script sui sistemi operativi utilizzati per i calcoli e a rifare i calcoli per assicurarsi della correttezza dei valori calcolati. L'incidente \u00e8 un ottimo esempio di come non solo la qualit\u00e0 dell'esperimento, ma anche la correttezza nell'elaborazione dei dati ottenuti nei programmi che fino
\nadesso sono stati utilizzati ovunque, possono influenzare il risultato finale.<\/p>\n

<\/a><\/noindex><\/p>\n

Fonte: opennet.ru<\/a><\/p>","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"

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