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Description
When generating the SVG for H 10 C 84 N 4 S 4
, following out of range error was found to occur:
terminate called after throwing an instance of 'std::out_of_range'
what(): basic_string::substr: __pos (which is 18446744073709551615) > this->size() (which is 0)
Aborted (core dumped)
Even though the makeopenbabel()
function call is being made in a try-except block, the setup script gets aborted instead of ignoring this as exception and continuing with other files.
This issue was noted with the file
Gaussian/Gaussian03/DCV4T+C60.log
which is provided in the cclib-data repository.
This problem was observed when I was trying to setup the database for a large number of files (used the entire cclib-data repository here)
However, when running the setup script only with the above mentioned file, below warning was raised:
*** Open Babel Error in expand_cycle
maximum time exceeded...
==============================
but ran eventually and produced the SVG.
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