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/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
*    list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
*    this list of conditions and the following disclaimer in the documentation
*    and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
*    names of its contributors may be used to endorse or promote products
*    derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
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* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
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package com.actelion.research.chem;

public class AromaticityResolver {
	ExtendedMolecule	mMol;
	private boolean[]	mIsAromaticBond;
    private int         mAromaticAtoms,mAromaticBonds,mPiElectronsAdded;

    /**
     * Creates a new AromaticityResolver for molecule mol that assumes that
     * all delocalized bonds of mol have bondType Molecule.cBondTypeDelocalized.
     * Internally this constructor creates a bond masks encoding the
     * delocalization from the bond type, then changes these bond type to
     * Molecule.cBondTypeSingle and calls the other constructor.
     * @param mol
     */
    public AromaticityResolver(ExtendedMolecule mol) {
        mMol = mol;

        mol.ensureHelperArrays(Molecule.cHelperNeighbours);

        mIsAromaticBond = new boolean[mol.getBonds()];
        for (int bond=0; bond