net.sf.octet.query
Interface ConformationComparator

All Known Subinterfaces:

MoleculeQueryStrategy

All Known Implementing Classes:

BasicConformationComparator, BilateralQueryStrategy, UnilateralQueryStrategy

public interface ConformationComparator

A comparator of Conformations. The method used to compare two Conformations is an implementation detail. The only restriction is that all invocations of compare return the same value for the same parameters over the lifetime of the concrete ConformationComparator.

Author:

Richard Apodaca

Method Summary

boolean

compare(Conformation input, Conformation model, AtomMap map) Compares input to model, using the specified AtomMap to correlate Atoms between the two.

Method Detail

compare

public boolean compare(Conformation input,
                       Conformation model,
                       AtomMap map)

Compares input to model, using the specified AtomMap to correlate Atoms between the two. Returns true if a match was detected, or false otherwise.

Parameters:

input - the Conformation whose features will be compared with those of model using map

model - the reference Conformation

map - the mapping of the atoms of input onto map

Returns:

true if the comparison was positive or false otherwise

Throws:

InvalidAtomMapException - if map does not map all of the Atoms of input onto model