[Open Babel] Problems deleting a OBMol object

2020-02-27 Thread Alessandro S. Nascimento
; delete[] xyz; } file_read = true; } else { file_read = false; } ref_mol.Clear(); mol.Clear(); return file_read; -- Alessandro S. Nascimento Professor São Carlos Institute of Physics (IFSC) University of São Paulo (USP) E-mail:

Re: [Open Babel] Problems deleting a OBMol object

2020-03-02 Thread Alessandro S. Nascimento
delete ref_mol; delete Writer; delete Mol; delete Input; return (file_read); } Em dom., 1 de mar. de 2020 às 06:37, Noel O'Boyle escreveu: > It would help us if you could provide the shortest possible (but complete) > example code that exhibits the problem.

Re: [Open Babel] Problems deleting a OBMol object

2020-03-07 Thread Alessandro S. Nascimento
ode to use sanitizer checks in > GCC and Clang. Useful checks include leak detection, memory errors (like > this), undefined behavior, etc.: > https://gcc.gnu.org/onlinedocs/gcc/Instrumentation-Options.html > > Cheers, > -Geoff > -- *

[Open Babel] OB install with pip (Google Colab)

2023-02-15 Thread Alessandro S. Nascimento via OpenBabel-discuss
ackage. ╰─> openbabel note: This is an issue with the package mentioned above, not pip. hint: See above for output from the failure. -- ********* * Alessandro S. Nascimento * * Associate Professo

[Open Babel] Issues compiling OpenBabel-3.1.1 on Linux

2023-06-08 Thread Alessandro S. Nascimento via OpenBabel-discuss
cpp:(.text+0x75d): undefined reference to `_ZTHN9OpenBabel7phmodelE' collect2: error: ld returned 1 exit status -- ***** * Alessandro S. Nascimento * * Associate P

Re: [Open Babel] Issues compiling OpenBabel-3.1.1 on Linux

2023-06-08 Thread Alessandro S. Nascimento via OpenBabel-discuss
rsion of GCC / G++ > > Best regards, > -Geoff > > On Jun 8, 2023 at 1:34:12 PM, Alessandro S. Nascimento via > OpenBabel-discuss wrote: > >> Dear all, >> >> I've been facing some issues when trying to compile OB 3.1.1 on my linux >> c