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Description
In order to improve modularity and ensure unit tests for high level functions such as ProcessSingleInputFile can be carried out, the main needs to be extracted and placed into a separate file.
- Step 1: separate processing functions (reading, calcuations, ...)
- CalcAndPrintINCHIAndINCHIKEY
- global variable: numbers_rrar
- RepeatedlyRenumberAtomsAndRecalcINCHI
- save_command_line
- emit_empty_inchi
- ProcessSingleInputFile
- ProcessMultipleInputFiles
- GetTheNextRecordOfInputFile
- Step 2:
- global variable: bInterrupted
- user_quit
- eat_keyboard_input
- MyHandlerRoutine
- WasInterrupted
- Step 3:
- Files dispstru c/h