{"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\/sl\/blog\/news\/nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii","title":{"rendered":"A bug in the Python script could have led to incorrect results in over 100 publications on chemistry","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"

Doktorand z univerze na Havajih je odkril<\/a><\/noindex> problem v Python skriptu, ki se uporablja za izra\u010dune kemijskega premika<\/a><\/noindex>, ki dolo\u010da kemijsko strukturo prou\u010devane snovi pri spektralni analizi signalov z metodo jedrske magnetne resonance<\/a><\/noindex>. Med preverjanjem rezultatov raziskav enega izmed svojih profesorjev je doktorand opazil, da je pri izvajanju skripta v razli\u010dnih operacijskih sistemih na istem naboru podatkov na izhodu dobival razli\u010dne rezultate.<\/p>\n

Na primer, pri zagonu v macOS 10.14 in Ubuntu 16.04 je skript vra\u010dal<\/a><\/noindex> nepravilno vrednost 172.4 namesto 173.2. Skript vsebuje pribli\u017eno 1000 vrstic kode in ga kemi\u010darji uporabljajo \u017ee od leta 2014. Preu\u010devanje kode je pokazalo, da je napa\u010dna vrednost posledica<\/a><\/noindex> razlikami pri sortiranju datotek v razli\u010dnih operacijskih sistemih. Avtorji skripte so menili, da funkcija «glob()<\/a><\/noindex>» vedno vrne datoteke, razvr\u0161\u010dene po imenu, medtem ko je v dokumentaciji za glob navedeno, da zaporedje izhoda ni zagotovljeno. Popravek se je zmanj\u0161al na dodajanje list_of_files.sort() po klicu glob().<\/p>\n

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

Odkrivena te\u017eava je postavila pod vpra\u0161aj pravilnost ve\u010d kot 100 objav s podro\u010dja kemije, katerih sklepi so bili narejeni na podlagi izra\u010dunanega kemijskega premika. Natan\u010dno \u0161tevilo raziskav, v katerih je bil skript uporabljen, ni znano, a je objava s kodo citirana v 158 delih. Avtorjem teh del je priporo\u010deno, da ocenijo pravilnost delovanja skripta v operacijskih sistemih, ki so bili uporabljeni za izra\u010dune, in izvedejo ponovno izra\u010dunavanje, da se prepri\u010dajo o pravilnosti izra\u010dunanih vrednosti. Dogodek je odli\u010dna ilustracija tega, da ne le kakovost izvedbe eksperimenta, temve\u010d tudi pravilna obdelava pridobljenih podatkov v programih, ki so do
\nzdaj povsem uporabljeni, lahko vpliva na kon\u010dni rezultat.<\/p>\n

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

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

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