com.actelion.research.chem.reaction.DatabaseReaction Maven / Gradle / Ivy
Go to download
Show more of this group Show more artifacts with this name
Show all versions of openchemlib Show documentation
Show all versions of openchemlib Show documentation
Open Source Chemistry Library
/*
* Copyright 2017 Idorsia Pharmaceuticals Ltd., Hegenheimermattweg 91, CH-4123 Allschwil, Switzerland
*
* This file is part of DataWarrior.
*
* DataWarrior 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.
*
* DataWarrior 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 DataWarrior.
* If not, see http://www.gnu.org/licenses/.
*
* @author Thomas Sander
*/
package com.actelion.research.chem.reaction;
public class DatabaseReaction extends Reaction {
private static final long serialVersionUID = 1L;
private int mReactionRegNo; // reaction's internal registry number
private int mMoleculeRegNo[]; // molecules internal registry nums
private int mYield; // yield (-1 = not available)
// private int initialize() {}
// CReactionText *getReactionTextP();
// CDatabase *getDatabaseP();
// void setDatabaseP ( CDatabase *databaseP );
// void reset ();
public void setReactionRegNo(int regNo) {
mReactionRegNo = regNo;
}
/**
* @param yield (-1 = not available)
*/
public void setReactionYield(int yield) {
mYield = yield;
}
public void setMoleculeRegNo(int mol, int regNo) {
if (mMoleculeRegNo == null)
mMoleculeRegNo = new int[getMolecules()];
mMoleculeRegNo[mol] = regNo;
}
public int getReactionRegNo() {
return mReactionRegNo;
}
public int getReactionYield() {
return mYield;
}
public int getMoleculeRegNo(int mol) {
return (mMoleculeRegNo == null || mMoleculeRegNo.length<= mol) ? -1 : mMoleculeRegNo[mol];
}
}
© 2015 - 2025 Weber Informatics LLC | Privacy Policy