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Memory leaks detected in Molecular Inorganics pipeline (exposed by molecular inorganics unit tests) #206

@nnuk

Description

@nnuk

In the first place detected by @cm-beilstein. During development and testing of the Molecular Inorganics functionality, memory leaks have been identified in parts of the existing InChI codebase.

These leaks seem to be introduced by functions in the legacy code but surface only when inside the MolecularInorganics pipeline by using the molecular inorganics unit tests that are designed to activate the MolecularInorganics parameter.

To reproduce the warnings just build the project with a memory diagnostics enabled (e.g., AddressSanitizer) and then run the molecular inorganics unit tests.

The observed behaviour is mostly that the memory is allocated but not freed in certain code paths. Since these functions are part of the legacy codebase, careful checking is required to avoid breaking existing behavior.

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