/* * Copyright (c) 2003-2012 Fred Hutchinson Cancer Research Center * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an "AS IS" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ package org.fhcrc.cpl.toolbox.chem; /** * Represents a simple chemical addition that can happen to an Adduct. Just adds the specified ChemicalFormula * atoms to the Adduct. Does no checking to see if this is reasonable */ public class SimpleChemicalAddition implements ChemicalModification { protected ChemicalFormula formulaToAdd; public SimpleChemicalAddition() { } public SimpleChemicalAddition(ChemicalFormula formulaToAdd) { this.formulaToAdd = formulaToAdd; } /** * Creates a new Adduct with the modification performed * @param adduct * @return */ public void perform(Adduct adduct) { adduct.setFormula(adduct.getFormula().createFormulaWithAddition(formulaToAdd)); adduct.modifications.add(this); } /** * Assume we can always add stuff * @param adduct * @return */ public boolean canPerform(Adduct adduct) { return true; } public String getSymbol() { return "+" + formulaToAdd; } public String getName() { return "Addition of " + formulaToAdd; } }