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ResearchObjectFinder

Chemistry Objects and methods to find them within archive files

Specifications of chemisty objects

List of properties of chemistry objects are in this (very ugly) mainClassification.xlsx file. It is converted (after some manual work… - this is work in progress…) into lists of criteria that can be used to program object finders in different computer languages.

For now, it exists only for C++.

Generation of code

The code including the criteria applied for the identification of chemistry objects is generated using:

cd specifications
./compileList.sh
cd ..

C++ implementation

The forCprog.txt and forCprogInit.txt files are included (using #include ...) in the C++ program (listChemObjects.cpp). More details in the C++ implementation page.