Ricardo Rodriguez 39d4662ae7 Throw when attempting to normalize a Zero RDGeom::Point (#8008) ...

* throw if close to zero

* fix moldraw2DTestCatch

* Fix testRGroupDecomp

* fix one test in distGeomHelpersCatch

* fix tests in distGeomHelpersCatch

* retry finding a dir vector when adding Hs

* push UFF fixes to calculateCosY

* fix the setTerminalAtomCoords deg 4 patch

* add a test

* reduce zero tolerance

2024-11-19 04:33:22 +01:00

2.4 KiB

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