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IQuery.java
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IQuery.java
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/*
* MX Cheminformatics Tools for Java
*
* Copyright (c) 2007-2009 Metamolecular, LLC
*
* http://metamolecular.com
*
* Permission is hereby granted, free of charge, to any person obtaining a copy
* of this software and associated documentation files (the "Software"), to deal
* in the Software without restriction, including without limitation the rights
* to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
* copies of the Software, and to permit persons to whom the Software is
* furnished to do so, subject to the following conditions:
*
* The above copyright notice and this permission notice shall be included in
* all copies or substantial portions of the Software.
*
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
* AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
* LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
* OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
* THE SOFTWARE.
*
* Copyright (C) 2006-2010 Syed Asad Rahman <asad@ebi.ac.uk>
*
* Contact: cdk-devel@lists.sourceforge.net
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
* All we ask is that proper credit is given for our work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*/
package org.openscience.cdk.smsd.algorithm.vflib.interfaces;
import org.openscience.cdk.interfaces.IAtom;
/**
* Interface for the query molecule/graph.
* @cdk.module smsd
* @cdk.githash
* @author Syed Asad Rahman <asad@ebi.ac.uk>
*/
public interface IQuery {
/**
* Returns nodes of the query.
* @return node Iterable.
*/
public Iterable<INode> nodes();
/**
* Returns a node of the query mol at a given position.
* @param index at position.
* @return node.
*/
public INode getNode(int index);
/**
* Returns edges of the query.
* @return edge Iterable.
*/
public Iterable<IEdge> edges();
/**
* Returns an edge of the query mol at a given position.
* @param index at position.
* @return edge
*/
public IEdge getEdge(int index);
/**
* Returns an atom associated with this node.
* @param node get Atom of this node.
* @return atom of this node
*/
public IAtom getAtom(INode node);
/**
* Returns an edge associated between two nodes.
*
* @param source get an between source.
* @param target and target.
* @return IEdge egde between source and target.
*/
public IEdge getEdge(INode source, INode target);
/**
* Returns edge count.
* @return edge count.
*/
public int countEdges();
/**
* Returns node count.
* @return node count.
*/
public int countNodes();
}