Variable.java

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/*
 *   DENOPTIM
 *   Copyright (C) 2022 Marco Foscato <marco.foscato@uib.no>
 *
 *   This program is free software: you can redistribute it and/or modify
 *   it under the terms of the GNU Affero 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 Affero General Public License for more details.
 *
 *   You should have received a copy of the GNU Affero General Public License
 *   along with this program.  If not, see <http://www.gnu.org/licenses/>.
 */
 
package denoptim.fitness;
 
import java.util.ArrayList;
import java.util.Arrays;
 
import org.openscience.cdk.qsar.IDescriptor;
 
public class Variable
{
    private String varName;
    
    private String descName;
    
    protected ArrayList<String> smarts;
    
    protected String[] params;
    
//------------------------------------------------------------------------------
    
    public Variable(String varName)
    {
        this.varName = varName;
    }
    
//------------------------------------------------------------------------------
 
    public static Variable atomSpecific(String varName, String descName, 
            String smartsIdentifier)
    {
        ArrayList<String> smarts = new ArrayList<String>(Arrays.asList(
                smartsIdentifier.split("\\s+")));
        Variable v = new Variable(varName);
        v.setDescriptorName(descName);
        v.setSMARTS(smarts);
        return v;
    }
    
//------------------------------------------------------------------------------
 
    public static Variable parametrized(String varName, String descName, 
            String paramsStr)
    {
        Variable v = new Variable(varName);
        v.setDescriptorName(descName);
        v.setDescriptorParameters(paramsStr.split(", +"));
        return v;
    }
 
//------------------------------------------------------------------------------
    
    public String getName()
    {
        return varName;
    }
    
//------------------------------------------------------------------------------
    
    public String getDescriptorName()
    {
        return descName;
    }
    
//------------------------------------------------------------------------------
    
    public void setDescriptorName(String descName)
    {
        this.descName = descName;
    }
 
//------------------------------------------------------------------------------
 
    public void setSMARTS(ArrayList<String> smarts)
    {
        this.smarts = smarts;
    }
    
//------------------------------------------------------------------------------
    
    public void setDescriptorParameters(String[] params)
    {
        this.params = params;
    }
    
//------------------------------------------------------------------------------
    
    public String toString()
    {
        String s = "Variable [varName:"+varName+", descName:"+descName
                +", smarts:"+smarts+", pararams:";
        if (params == null)
        {
            s = s + "null";
        } else {
            s = s + "[";
            for (int i=0; i<(params.length-1); i++)
                s = s + params[i] + ", ";
            s = s + params[params.length-1] + "]";
        }
        s = s + "]";
        return s;
    }
    
//------------------------------------------------------------------------------
    
}