The Octet Molecular Representation Framework v0.8.2

net.sf.octet.query
Interface ConfigurationComparator

All Known Subinterfaces:
MoleculeQueryStrategy
All Known Implementing Classes:
BasicConfigurationComparator, BilateralQueryStrategy, UnilateralQueryStrategy

public interface ConfigurationComparator

A comparator of Configuration. ConfigurationComparator compares two Configurations with the aid of an AtomMap. The method used to compare two Configurations 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 ConfigurationComparator.

Author:
Richard Apodaca

Method Summary
 boolean compare(Configuration input, Configuration model, AtomMap map)
          Compares input with model using map to correlate Atoms between the two.
 

Method Detail

compare

public boolean compare(Configuration input,
                       Configuration model,
                       AtomMap map)
Compares input with model using map to correlate Atoms between the two. Returns true if commonality was detected, or false otherwise.

Parameters:
input - the Configuration whose features will be compared with those of model using map
model - the reference Configuration
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

The Octet Molecular Representation Framework v0.8.2