/*
* 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 subtraction that can happen to an Adduct. Just subtracts the specified ChemicalFormula
* atoms from the Adduct. canPerform returns false if the atoms aren't there
*/
public class SimpleChemicalSubtraction implements ChemicalModification
{
protected ChemicalFormula formulaToSubtract;
public SimpleChemicalSubtraction(ChemicalFormula formulaToSubtract)
{
this.formulaToSubtract = formulaToSubtract;
}
/**
* Creates a new Adduct with the modification performed
* @param adduct
* @return
*/
public void perform(Adduct adduct)
{
adduct.setFormula(adduct.getFormula().createFormulaWithSubtraction(formulaToSubtract));
adduct.modifications.add(this);
}
/**
* We can only subtract if the elements are present
* @param adduct
* @return
*/
public boolean canPerform(Adduct adduct)
{
try
{
adduct.getFormula().createFormulaWithSubtraction(formulaToSubtract);
}
catch (IllegalArgumentException e)
{
return false;
}
return true;
}
public String getSymbol()
{
return "-" + formulaToSubtract;
}
public String getName()
{
return "Subtraction of " + formulaToSubtract;
}
}