Isiphene kwiskripthi sePython sinokukhokelela kwiziphumo ezingalunganga kwimipapasho ye-chemistry engaphezu kwe-100

Umfundi othweswe isidanga kwiYunivesithi yaseHawaii ifunyenwe ingxaki kumbhalo wePython osetyenziselwa izibalo utshintsho lwekhemikhali, omisela ubume beekhemikhali bezinto eziphantsi kophando ngexesha lokuhlalutya izibonakaliso zezibonakaliso usebenzisa indlela inyukliya magnetic resonance. Ngelixa eqinisekisa iziphumo zophando zomnye wonjingalwazi wakhe, umfundi ophumelele isidanga wabona ukuba xa eqhuba iskripthi kwiinkqubo ezahlukeneyo zokusebenza kwiseti yedatha efanayo, isiphumo sahlukile.

Umzekelo, xa usebenza kwi-macOS 10.14 kunye no-Ubuntu 16.04 kwidathasethi evavanyiweyo, iskripthi. ikhutshiwe ixabiso elingalunganga 172.4 endaweni ye-173.2. Isikripthi sibandakanya malunga nemigca ye-1000 yekhowudi kwaye isetyenziswe ngamachiza ukususela ngo-2014. Uvavanyo lwekhowudi lubonise ukuba imveliso ayilunganga ngenxa ye Umahluko xa uhlela iifayile kwiindlela ezahlukeneyo zokusebenza. Ababhali besikripthi bakholelwa ukuba umsebenzi "Iglobhu()" isoloko ibuyisela iifayile ezimiswe ngamagama, ngelixa uxwebhu lweglobhu luchaza ukuba ulandelelwano lwemveliso aluqinisekiswanga. Ulungiso yayikukudibanisa list_of_files.sort() emva kweglob() call.

Isiphene kwiskripthi sePython sinokukhokelela kwiziphumo ezingalunganga kwimipapasho ye-chemistry engaphezu kwe-100

Ingxaki efunyenweyo ibangela ukuthandabuza ngokuchaneka kweempapasho ezingaphezu kwe-100 kwi-chemistry, izigqibo ezenziwe ngesiseko sokutshintshwa kweekhemikhali kubalwa ngumbhalo. Inani elichanekileyo lezifundo apho iskripthi sisetyenzisiweyo alaziwa, kodwa iimpapasho kunye nekhowudi yayo zikhankanywe kumaphepha e-158. Ababhali bale mi sebenzi bayacetyiswa ukuba bavavanye ukuchaneka kweskripthi kwiinkqubo zokusebenza ezisetyenziselwa izibalo kwaye baphinde babale kwakhona ukuze kuqinisekiswe ukuba amaxabiso abalwayo achanekile. Isiganeko ngumzekelo ogqwesileyo wenyaniso yokuba hayi kuphela umgangatho wovavanyo, kodwa kunye nokuchaneka kokucubungula idatha efunyenweyo kwiinkqubo
Oku kusetyenziswe ngokubanzi kunokuchaphazela umphumo wokugqibela.

umthombo: opennet.ru

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