Re: [Cdk-user] ICountFingerprint usage question

2016-02-03 Thread John M
Unfortunately I don't think it's possible at the moment. The current fingerprint API has *Map getRawFingerprint * Which

Re: [Cdk-user] ICountFingerprint usage question

2016-02-03 Thread Nina Jeliazkova
Hi John, Thanks! While on this, I am currently looking on how to extract the substructure patterns corresponding to the circular fingerprints hashes. Any chance if you already have thoughts on this ? Supporting this on the interface level would be nice as well . (I have a different use case

[Cdk-user] ICountFingerprint usage question

2016-02-02 Thread Nina Jeliazkova
Hello All, I am wondering what is the intended usage of the ICountFingerprint interface, and more specifically, how does one iterates over the available hashes using this interface. The obvious way of using the size() and for loop is impractical in cases as CircularFingerprint, where the size is