yes, with "assert" result is the same - output is: 2.43046898916e-316 6 12.0 2.43046898916e-316 6 12.0 2.43046898916e-316 8 15.0 2.43046898916e-316 6 12.0 2.43046898916e-316 16 31.0 C(CO)CS Molecular weight is: 3.15960968591e-315 (problem is only for atomicmass)
while without "app = QtGui.QApplication(sys.argv) and related commands" all works perfectly. As about element.txt: when I've copied it to project directory and replaced decimal separator to "," script gives me correct results. So, problem is in decimal separators in different locales (my is RU). Is it possible to make workaround in my particular program to not take into account separator settings? And, problem is more common - similar bug was in the Avogadro (also based on openbabel) http://sourceforge.net/tracker/?func=detail&aid=3057251&group_id=165310&atid=835077 In that thread is mentioned that this bug was fixed... But is it really fixed? -- View this message in context: http://forums.openbabel.org/Python-Qt-and-openbabel-atomicmass-error-tp3264710p3276510.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: Pinpoint memory and threading errors before they happen. Find and fix more than 250 security defects in the development cycle. Locate bottlenecks in serial and parallel code that limit performance. http://p.sf.net/sfu/intel-dev2devfeb _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
