X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fdatamodel%2FPDBEntry.java;h=1c1d192fcbabc754b547bff599aa21408d7af19c;hb=3f12f4932226512316ec113e600695150431fd0a;hp=ee2b5493f17bba5ee8923b59568eca490c775b3f;hpb=47168f025aefdaa044802bd5f8f510ffe43a4808;p=jalview.git diff --git a/src/jalview/datamodel/PDBEntry.java b/src/jalview/datamodel/PDBEntry.java index ee2b549..1c1d192 100755 --- a/src/jalview/datamodel/PDBEntry.java +++ b/src/jalview/datamodel/PDBEntry.java @@ -1,6 +1,6 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) - * Copyright (C) 2014 The Jalview Authors + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * @@ -20,15 +20,78 @@ */ package jalview.datamodel; -import java.util.*; +import java.util.Hashtable; public class PDBEntry { - String file; + private String file; - String type; + private String type; - String id; + private String id; + + public enum Type + { + PDB, MMCIF, FILE; + /** + * case insensitive matching for Type enum + * + * @param value + * @return + */ + public static Type getType(String value) + { + for (Type t : Type.values()) + { + if (t.toString().equalsIgnoreCase(value)) + { + return t; + } + } + return null; + } + + /** + * case insensitive equivalence for strings resolving to PDBEntry type + * + * @param t + * @return + */ + public boolean matches(String t) + { + return (this.toString().equalsIgnoreCase(t)); + } + } + + public final class ChainId + { + String chainId; + + public ChainId(String chainId) + { + this.chainId = chainId; + } + + @Override + public String toString() + { + return chainId; + } + + @Override + public boolean equals(Object o){ + if (o==null) + { + return false; + } + return chainId.equalsIgnoreCase(o.toString()); + } + } + + /** + * constant for storing chain code in properties table + */ + private static final String CHAIN_ID = "chain_code"; Hashtable properties; @@ -37,6 +100,7 @@ public class PDBEntry * * @see java.lang.Object#equals(java.lang.Object) */ + @Override public boolean equals(Object obj) { if (obj == null || !(obj instanceof PDBEntry)) @@ -44,23 +108,52 @@ public class PDBEntry return false; } if (obj == this) + { return true; + } PDBEntry o = (PDBEntry) obj; - return (file == o.file || (file != null && o.file != null && o.file - .equals(file))) - && (type == o.type || (type != null && o.type != null && o.type - .equals(type))) + return (type == o.type || (type != null && o.type != null && o.type + .equals(type))) && (id == o.id || (id != null && o.id != null && o.id .equalsIgnoreCase(id))) && (properties == o.properties || (properties != null && o.properties != null && properties .equals(o.properties))); + } + /** + * Default constructor + */ public PDBEntry() { } + /** + * Constructor given file path and PDB id. + * + * @param filePath + */ + // public PDBEntry(String filePath, String pdbId) + // { + // this.file = filePath; + // this.id = pdbId; + // } + + public PDBEntry(String pdbId, String chain, PDBEntry.Type type, + String filePath) + { + this.id = pdbId; + this.type = type == null ? null : type.toString(); + this.file = filePath; + setChainCode(chain); + } + + /** + * Copy constructor. + * + * @param entry + */ public PDBEntry(PDBEntry entry) { file = entry.file; @@ -82,9 +175,14 @@ public class PDBEntry return file; } - public void setType(String type) + public void setType(String t) { - this.type = type; + this.type = t; + } + + public void setType(PDBEntry.Type type) + { + this.type = type == null ? null : type.toString(); } public String getType() @@ -112,4 +210,89 @@ public class PDBEntry return properties; } + /** + * + * @return null or a string for associated chain IDs + */ + public String getChainCode() + { + return (properties == null || properties.get(CHAIN_ID) == null) ? null + : properties.get(CHAIN_ID).toString(); + } + + public void setChainCode(String chainCode) + { + if (properties == null) + { + if (chainCode == null) + { + // nothing to do. + return; + } + properties = new Hashtable(); + } + if (chainCode == null) + { + properties.remove(CHAIN_ID); + return; + } + // update property for non-null chainCode + properties.put(CHAIN_ID, new ChainId(chainCode)); + } + + @Override + public String toString() + { + return id; + } + + /** + * update entry with details from another entry concerning the same PDB + * ID/file spec. + * + * @param newEntry + * @return true if modifications were made + */ + public boolean updateFrom(PDBEntry newEntry) + { + boolean modified = false; + + if (getFile() == null) + { + // update file and type of file + modified |= newEntry.getFile() != null; + setFile(newEntry.getFile()); + } + if (newEntry.getType() != null && newEntry.getFile() != null + && newEntry.getFile().equals(getFile())) + { + setType(newEntry.getType()); + } + if (getChainCode() == null + || (getChainCode() != null && getChainCode().length() == 0 && newEntry + .getChainCode() != null)) + { + modified |= getChainCode() == null + || !newEntry.getChainCode().equals(getChainCode()); + setChainCode(newEntry.getChainCode()); + } + if (newEntry.getProperty() != null) + { + if (properties == null) + { + properties = new Hashtable(); + } + // TODO: getProperty -> Map + for (Object p : newEntry.getProperty().keySet()) + { + if (properties.get(p) == null + || !properties.get(p).equals(newEntry.getProperty().get(p))) + { + modified = true; + } + properties.put(p, newEntry.getProperty().get(p)); + } + } + return modified; + } }