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Open Source Chemistry Library
/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
* names of its contributors may be used to endorse or promote products
* derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*
*/
package com.actelion.research.chem.properties.complexity;
import java.io.IOException;
import java.io.InputStream;
public class FragmentDefinedByBondsIdCode implements Comparable {
String idcode;
private int frequency;
private IBitArray bitArray;
public FragmentDefinedByBondsIdCode() {
idcode = "";
}
public FragmentDefinedByBondsIdCode(IBitArray f) {
this.bitArray = f;
}
public FragmentDefinedByBondsIdCode(FragmentDefinedByBondsIdCode f) {
this.bitArray = f.bitArray;
idcode = f.idcode;
frequency = f.frequency;
}
public void addBits(IBitArray ba){
this.bitArray.add(ba);
}
/**
* @return the idcode
*/
public String getIdCode() {
return idcode;
}
public IBitArray getBitArray(){
return bitArray;
}
/**
* @param idcode the idcode to set
*/
public void setIdCode(String idcode) {
this.idcode = idcode;
}
public int getFrequency() {
return frequency;
}
public void incrementFrequency() {
this.frequency++;
}
public void setFrequency(int frequency) {
this.frequency = frequency;
}
public int getBitsSet() {
if(bitArray==null){
return 0;
}
return bitArray.getBitsSet();
}
public boolean isOverlappingBits(IBitArray ba){
return bitArray.isOverlap(ba);
}
public String write2String() throws IOException{
StringBuilder sb = new StringBuilder();
sb.append(idcode);
sb.append("\t");
sb.append(frequency);
sb.append(" ");
sb.append(bitArray.write2String());
return sb.toString();
}
public static FragmentDefinedByBondsIdCode read(InputStream s) throws IOException{
String idcode = parseString(s);
int frequency = (int) BitArray128.parseLong(s);
IBitArray f = BitArray128.read(s);
FragmentDefinedByBondsIdCode fIdCode = new FragmentDefinedByBondsIdCode(f);
fIdCode.idcode = idcode;
fIdCode.frequency = frequency;
return fIdCode;
}
public static String parseString(InputStream s) throws IOException{
int i = -1;
StringBuilder sb = new StringBuilder();
while('\t' != (i=s.read())){
sb.append((char)i);
}
return sb.toString();
}
@Override
public int compareTo(FragmentDefinedByBondsIdCode o) {
if(idcode==null && o.idcode==null)
return 0;
else if(o.idcode==null)
return 1;
else if(idcode==null)
return -1;
return idcode.compareTo(o.idcode);
}
}