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* Added xyz2mol file parser and tests * deleted some comments * Delete file parser * Delete file parser test * Revert "Localb" * adding all files again * adding file parser and test * Updated empty string check Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Updated atom initialization Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Allow zero-atom molecule object Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * file parser improvements and added 0-atom mol test * added xyz block parser and other fixes * Added the DetermineBonds library with atomic connectivity determination * atomic connectivity updates including EHT methhod addition * incorporated more suggestions * adding buggy version of determine bond ordering * added documentation for determineBonds() use * fixed unfavorable oxygen bond ordering * suggested updates * additional error checking and added determine bond ordering radical testing * divided test files into categories * added determineBonds() combining connectivity and bond ordering * edited determineBonds.h documentation, added readme * small grammar fixes * more tiny fixes * one less letter * another typo fix * make the xyz2mol functionality optional * enable that for the CI builds * Update CMakeLists.txt Co-authored-by: Sreya Gogineni <74024376+gosreya@users.noreply.github.com> * array to vector * get windows DLL builds working * rename determineBondOrder -> determineBondOrders * run clang-format * add python wrappers rename determineBondOrder->determineBondOrders * expose XYZ parsers to python * changes in response to review Co-authored-by: Sreya Gogineni <gosreya@gmail.edu> Co-authored-by: Greg Landrum <greg.landrum@gmail.com>