From: Egon W. <eg...@us...> - 2004-12-04 21:16:58
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/result In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv17190/src/org/openscience/cdk/qsar/result Added Files: DescriptorResult.java DoubleArrayResult.java DoubleResult.java IntegerResult.java Log Message: Start of conversion of Descriptor calculate() signature: have it return a src/org/openscience/cdk/qsar/result/DescriptorResult class --- NEW FILE: DescriptorResult.java --- /* $RCSfile: DescriptorResult.java,v $ * $Author: egonw $ * $Date: 2004/12/04 21:16:48 $ * $Revision: 1.1 $ * * Copyright (C) 2004 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * 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 Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ package org.openscience.cdk.qsar.result; /** * Object that provides access to the calculated descriptor value. * The concept was taken from JOELib. * * @cdk.module qsar */ public interface DescriptorResult { } --- NEW FILE: DoubleArrayResult.java --- /* $RCSfile: DoubleArrayResult.java,v $ * $Author: egonw $ * $Date: 2004/12/04 21:16:48 $ * $Revision: 1.1 $ * * Copyright (C) 2004 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * 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 Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ package org.openscience.cdk.qsar.result; import java.util.ArrayList; import java.util.List; /** * @cdk.module qsar */ public class DoubleArrayResult implements DescriptorResult { private List array; public DoubleArrayResult() { this.array = new ArrayList(); } public DoubleArrayResult(int size) { this.array = new ArrayList(size); } public void add(double value) { array.add(new Double(value)); } public double get(int index) { return ((Double)this.array.get(index)).doubleValue(); } public int size() { return this.array.size(); } } --- NEW FILE: DoubleResult.java --- /* $RCSfile: DoubleResult.java,v $ * $Author: egonw $ * $Date: 2004/12/04 21:16:48 $ * $Revision: 1.1 $ * * Copyright (C) 2004 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * 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 Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ package org.openscience.cdk.qsar.result; /** * @cdk.module qsar */ public class DoubleResult implements DescriptorResult { private double value; public DoubleResult(double value) { this.value = value; } public double doubleValue() { return this.value; } } --- NEW FILE: IntegerResult.java --- /* $RCSfile: IntegerResult.java,v $ * $Author: egonw $ * $Date: 2004/12/04 21:16:48 $ * $Revision: 1.1 $ * * Copyright (C) 2004 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * 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 Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ package org.openscience.cdk.qsar.result; /** * Object that provides access to the calculated descriptor value. * * @cdk.module qsar */ public class IntegerResult implements DescriptorResult { private int value; public IntegerResult(int value) { this.value = value; } public int intValue() { return this.value; } } |