content: package com.actelion.research.chem.chemicalspaces.ptree.synthon;
  
  import java.util.ArrayList;
  import java.util.List;
  
  import com.actelion.research.chem.StereoMolecule;
  import com.actelion.research.chem.chemicalspaces.ptree.PharmTreeSynthonReactionHelper;
  
  
  public class PharmTreeSynthonLibrary {
  	
  	private List<List<PharmTreeSynthon>> synthons;
  	private PharmTreeSynthonReactionHelper rxnHelper;
  	private String reactionID;
  	
  	public PharmTreeSynthonLibrary(List<List<PharmTreeSynthon>> synthons) {
  		this.synthons = synthons;
  		rxnHelper = new PharmTreeSynthonReactionHelper(getGenericReactants());
  
  	}
  
  	public List<List<PharmTreeSynthon>> getSynthons() {
  		return synthons;
  	}
  
  	public PharmTreeSynthonReactionHelper getReactionHelper() {
  		return rxnHelper;
  	}
  
  	public void setReactionHelper(PharmTreeSynthonReactionHelper reactor) {
  		this.rxnHelper = reactor;
  	}
  	
  	public List<StereoMolecule> getGenericReactants() {
  		List<StereoMolecule> genericReactants = new ArrayList<>();
  		for(List<PharmTreeSynthon> synthonList : synthons) {
  
  
  			StereoMolecule minimalSynthon = synthonList.get(0).createMinimalSynthon();
  
  			try {
  				genericReactants.add(minimalSynthon);
  			} catch (Exception e) {
  				System.err.println(minimalSynthon.getIDCode());
  				e.printStackTrace();
  
  			}
  		}
  		return genericReactants;
  	}
  
  	public String getReactionID() {
  		return reactionID;
  	}
  
  	public void setReactionID(String reactionID) {
  		this.reactionID = reactionID;
  	}
  	
  	
  	
  	
  
  }
  