FastSearch class

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FastSearch class

Rob Soe
Hi all,
I have the following code which I borrowed from

I am wondering how I can retrieve similar molecules (molecules compared to "patternMol"). In the comment, it says "read the candidate molecules" but can someone give an example how to read/retrieve the molecules?

I want to retrieve such similar molecules (OBMol) so that I can get information such as molecules' title (via GetTitle()) and so on.

multimap<double, unsigned int> SeekposMap;
// to find molecules with Tanimoto coefficient > MinTani
fs.FindSimilar(&patternMol, SeekposMap, MinTani);
multimap<double, unsigned int>::reverse_iterator itr;
// ... read the candidate molecule

Thank you very much as always.

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