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Adds missing functionality to the Indigo Chemistry Toolkit.
The newest version!
/*
* Copyright (C) 2013 Joos Kiener
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* 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 General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see .
*/
package org.bitbucket.kienerj.indigoutils;
import com.ggasoftware.indigo.IndigoObject;
import java.util.Map;
import lombok.AllArgsConstructor;
import lombok.Data;
/**
*
* @author Joos Kiener
*/
@Data
@AllArgsConstructor
public class FragmentRemovalResult {
private final IndigoObject mol;
private final int ratio;
private final Map removedFragments;
public FragmentRemovalResult(IndigoObject mol,
Map removedFragments){
this.mol = mol;
this.removedFragments = removedFragments;
this.ratio = 1;
}
}
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