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Ensure deterministic order in toConciseAlignmentString
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sbliven committed Dec 7, 2020
1 parent 5cfd160 commit 1fe5059
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Showing 2 changed files with 33 additions and 12 deletions.
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Expand Up @@ -20,7 +20,37 @@
*/
package org.biojava.nbio.structure.align.util;

import org.biojava.nbio.structure.*;
import java.io.IOException;
import java.io.Writer;
import java.util.AbstractMap;
import java.util.ArrayList;
import java.util.Arrays;
import java.util.Collections;
import java.util.HashMap;
import java.util.Iterator;
import java.util.List;
import java.util.Map;
import java.util.Map.Entry;
import java.util.Set;
import java.util.SortedSet;
import java.util.TreeMap;
import java.util.TreeSet;
import java.util.regex.Matcher;
import java.util.regex.Pattern;

import javax.vecmath.Matrix4d;

import org.biojava.nbio.structure.Atom;
import org.biojava.nbio.structure.AtomImpl;
import org.biojava.nbio.structure.Calc;
import org.biojava.nbio.structure.Chain;
import org.biojava.nbio.structure.ChainImpl;
import org.biojava.nbio.structure.Group;
import org.biojava.nbio.structure.ResidueNumber;
import org.biojava.nbio.structure.Structure;
import org.biojava.nbio.structure.StructureException;
import org.biojava.nbio.structure.StructureImpl;
import org.biojava.nbio.structure.StructureTools;
import org.biojava.nbio.structure.align.AFPTwister;
import org.biojava.nbio.structure.align.ce.CECalculator;
import org.biojava.nbio.structure.align.fatcat.FatCatFlexible;
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import org.slf4j.Logger;
import org.slf4j.LoggerFactory;

import java.io.IOException;
import java.io.Writer;
import java.util.*;
import java.util.Map.Entry;
import java.util.regex.Matcher;
import java.util.regex.Pattern;

import javax.vecmath.Matrix4d;

/**
* Methods for analyzing and manipulating AFPChains and for
* other pairwise alignment utilities. <p>
Expand Down Expand Up @@ -989,7 +1010,7 @@ public static Object resizeArray (Object oldArray, int newSize) {
*/
public static <S,T> String toConciseAlignmentString(Map<S,T> alignment, Map<T,S> identity) {
// Clone input to prevent changes
Map<S,T> alig = new HashMap<S,T>(alignment);
Map<S,T> alig = new TreeMap<S,T>(alignment);

// Generate inverse alignment
Map<S,List<S>> inverse = new HashMap<S,List<S>>();
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Expand Up @@ -293,7 +293,7 @@ private synchronized boolean addToZipFileSystem(Path zipFile, File[] files, Path
*/

// Copy in each file.
try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, null)) {
try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, (ClassLoader) null)) {
Files.createDirectories(pathWithinArchive);
for (File f : files) {
if (!f.isDirectory() && f.exists()) {
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