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expose FPS functions to java; add tests for that (#897)

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This commit is contained in:
Greg Landrum
2016-05-02 20:39:48 +02:00
committed by Brian Kelley
parent 6709ed553d
commit db0db2e4e4
3 changed files with 77 additions and 0 deletions
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2
Code/JavaWrappers/BitOps.i
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@@ -68,3 +68,5 @@
%template(BitVectToText) BitVectToText<ExplicitBitVect>;
%template(FromBitString) FromBitString<ExplicitBitVect>;
%template(FromDaylightString) FromDaylightString<ExplicitBitVect>;
%template(BitVectToFPSText) BitVectToFPSText<ExplicitBitVect>;
%template(UpdateBitVectFromFPSText) UpdateBitVectFromFPSText<ExplicitBitVect>;

5
Code/JavaWrappers/gmwrapper/CMakeLists.txt
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@@ -330,6 +330,11 @@ ADD_TEST(JavaDiversityPickerTests
-cp "${JUNIT_JAR}${PATH_SEP}${CMAKE_JAVA_TEST_OUTDIR}${PATH_SEP}${CMAKE_CURRENT_SOURCE_DIR}/org.RDKit.jar"
org.RDKit.DiversityPickerTests)
ADD_TEST(JavaBitOpsTests
java -Djava.library.path=${CMAKE_CURRENT_SOURCE_DIR}
-cp "${JUNIT_JAR}${PATH_SEP}${CMAKE_JAVA_TEST_OUTDIR}${PATH_SEP}${CMAKE_CURRENT_SOURCE_DIR}/org.RDKit.jar"
org.RDKit.BitOpsTests)
INSTALL(TARGETS GraphMolWrap
DESTINATION ${CMAKE_CURRENT_SOURCE_DIR} )

70
Code/JavaWrappers/gmwrapper/src-test/org/RDKit/BitOpsTests.java Normal file
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@@ -0,0 +1,70 @@
/*
*
* Copyright (c) 2016, Greg Landrum
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are
* met:
*
* * Redistributions of source code must retain the above copyright
* notice, this list of conditions and the following disclaimer.
* * 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.
* * Neither the name of Novartis Institutes for BioMedical Research Inc.
* 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 org.RDKit;
import static org.junit.Assert.*;
import org.junit.Test;
public class BitOpsTests extends GraphMolTest {
@Test public void testFPS() {
ExplicitBitVect bv;
bv = new ExplicitBitVect(32);
String fps;
fps = RDKFuncs.BitVectToFPSText(bv);
assertEquals(fps,"00000000");
bv.setBit(0);
bv.setBit(1);
bv.setBit(17);
bv.setBit(23);
bv.setBit(31);
fps = RDKFuncs.BitVectToFPSText(bv);
assertEquals(fps,"03008280");
}
@Test public void testFPS2() {
ExplicitBitVect bv;
bv = new ExplicitBitVect(32);
String fps="03008280";
RDKFuncs.UpdateBitVectFromFPSText(bv,fps);
assertEquals(bv.getNumOnBits(),5);
assertTrue(bv.getBit(0));
assertTrue(bv.getBit(1));
assertTrue(bv.getBit(17));
assertTrue(bv.getBit(23));
assertTrue(bv.getBit(31));
}
public static void main(String args[]) {
org.junit.runner.JUnitCore.main("org.RDKit.BitOpsTests");
}
}