ch.unibas.fittingwizard.mocks.MockBabelScript.java Source code

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Here is the source code for ch.unibas.fittingwizard.mocks.MockBabelScript.java

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/*
 * Copyright (c) 2015, Florent Hedin, Markus Meuwly, and the University of Basel
 * All rights reserved.
 *
 * The 3-clause BSD license is applied to this software.
 * see LICENSE.txt
 *
 */
package ch.unibas.fittingwizard.mocks;

import ch.unibas.fittingwizard.application.scripts.babel.BabelInput;
import ch.unibas.fittingwizard.application.scripts.babel.BabelOutput;
import ch.unibas.fittingwizard.application.scripts.babel.IBabelScript;
import java.io.File;
import java.io.IOException;
import java.util.Arrays;
import java.util.List;
import org.apache.commons.io.FileUtils;
import org.apache.commons.io.FilenameUtils;
import org.apache.log4j.Logger;

/**
 * User: mhelmer
 * Date: 06.12.13
 * Time: 13:13
 */
public class MockBabelScript implements IBabelScript {

    private final String logExtension = ".log";
    private final String sdfExtension = ".sdf";

    private final List<String> filesToCopy = Arrays.asList(".sdf");

    private final static Logger logger = Logger.getLogger(MockBabelScript.class);

    private File moleculeDestination;
    private final File moleculesTestData;

    public MockBabelScript(File moleculeDestination, File moleculesTestData) {
        this.moleculeDestination = moleculeDestination;
        this.moleculesTestData = moleculesTestData;
    }

    @Override
    public BabelOutput execute(BabelInput input) {

        String moleculeName = getMoleculeName(input.getGaussianLogFile());

        File outputDir = new File(moleculeDestination, moleculeName);

        File outputFile = new File(outputDir, moleculeName + sdfExtension);

        File precomputedDataDir = new File(moleculesTestData, moleculeName);

        for (String fileExtension : filesToCopy) {

            File precomputedFile = new File(precomputedDataDir, moleculeName + fileExtension);

            try {
                FileUtils.copyFile(precomputedFile, new File(outputDir, moleculeName + fileExtension));
            } catch (IOException e) {
                logger.error("Could not copy precomputed file " + precomputedFile);
                throw new RuntimeException("Could not copy precomputed file " + precomputedFile);
            }
        }

        return new BabelOutput(outputFile);

    }

    private String getMoleculeName(File input) {
        return FilenameUtils.removeExtension(input.getName());
    }
}