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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.descriptor;
import com.actelion.research.chem.SSSearcherWithIndex;
import java.nio.charset.StandardCharsets;
import java.util.Arrays;
abstract public class AbstractDescriptorHandlerFP implements DescriptorHandler {
protected static final int[] FAILED_OBJECT = new int[0];
public String encode(int[] o) {
return calculationFailed(o) ? FAILED_STRING
: new String(new DescriptorEncoder().encode(o), StandardCharsets.UTF_8);
}
public int[] decode(String s) {
return s == null ? null
: s.equals(FAILED_STRING) ? FAILED_OBJECT
: new DescriptorEncoder().decode(s);
}
public int[] decode(byte[] bytes) {
return bytes == null ? null
: Arrays.equals(bytes, FAILED_BYTES) ? FAILED_OBJECT
: new DescriptorEncoder().decode(bytes);
}
public boolean calculationFailed(int[] o) {
return o==null || o.length == 0;
}
public float getSimilarity(int[] o1, int[] o2) {
return o1 == null
|| o2 == null
|| o1.length == 0
|| o2.length == 0 ? 0.0f
: SSSearcherWithIndex.getSimilarityTanimoto(o1, o2);
}
}