#578 IPMolecularDescriptor needs to use parameters

[Rajarshi Guha]

The current implementation of the descriptor indicates that it returns the first IP of a molecule. But there is a public method that returns the 1,2,...,n IP's of a molecle.

Either the code should be reworked to strictly return the first IP, in which case calculatePlus() should be private and getDescriptorResultType should return DoubleResult and not DoubleArrayResult.

Or else, the code should use a parameter to indicate how many IP's should be returned. The default could either be just the first IP, or all n IP's (my preference is for the first IP).

[Egon Willighagen]

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This is related to bug #1651264:

http://sourceforge.net/tracker/index.php?func=detail&aid=1651264&group_id=20024&atid=120024