X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructures%2Fmodels%2FAAStructureBindingModel.java;fp=src%2Fjalview%2Fstructures%2Fmodels%2FAAStructureBindingModel.java;h=6846de0e68c2c7967e2e939b7a002fdcf91d1cef;hb=7d67fb613ec026dc9a265e351e7fab542e3f1d61;hp=70fe60964640d9d5aad37b259ac9e43d8002cf45;hpb=02e38bb826828ab2991584cf4b737c0138cb6c44;p=jalview.git diff --git a/src/jalview/structures/models/AAStructureBindingModel.java b/src/jalview/structures/models/AAStructureBindingModel.java index 70fe609..6846de0 100644 --- a/src/jalview/structures/models/AAStructureBindingModel.java +++ b/src/jalview/structures/models/AAStructureBindingModel.java @@ -52,6 +52,10 @@ public abstract class AAStructureBindingModel extends private StructureSelectionManager ssm; + /* + * distinct PDB entries (pdb files) associated + * with sequences + */ private PDBEntry[] pdbEntry; /* @@ -76,6 +80,11 @@ public abstract class AAStructureBindingModel extends private boolean finishedInit = false; /** + * current set of model filenames loaded in the Jmol instance + */ + protected String[] modelFileNames = null; + + /** * Data bean class to simplify parameterisation in superposeStructures */ protected class SuperposeData @@ -124,22 +133,17 @@ public abstract class AAStructureBindingModel extends * @param pdbentry * @param sequenceIs * @param chains - * @param protocol2 + * @param protocol */ public AAStructureBindingModel(StructureSelectionManager ssm, - PDBEntry[] pdbentry, SequenceI[][] sequenceIs, String[][] chains, - DataSourceType protocol2) + PDBEntry[] pdbentry, SequenceI[][] sequenceIs, + DataSourceType protocol) { this.ssm = ssm; this.sequence = sequenceIs; this.nucleotide = Comparison.isNucleotide(sequenceIs); - this.chains = chains; this.pdbEntry = pdbentry; - this.protocol = protocol2; - if (chains == null) - { - this.chains = new String[pdbentry.length][]; - } + this.protocol = protocol; } public StructureSelectionManager getSsm() @@ -240,24 +244,21 @@ public abstract class AAStructureBindingModel extends // TODO: give a more informative title when multiple structures are // displayed. StringBuilder title = new StringBuilder(64); - final PDBEntry pdbEntry = getPdbEntry(0); + final PDBEntry pdbe = getPdbEntry(0); title.append(viewerName + " view for " + getSequence()[0][0].getName() - + ":" + pdbEntry.getId()); + + ":" + pdbe.getId()); if (verbose) { - if (pdbEntry.getProperty() != null) + String method = (String) pdbe.getProperty("method"); + if (method != null) { - if (pdbEntry.getProperty().get("method") != null) - { - title.append(" Method: "); - title.append(pdbEntry.getProperty().get("method")); - } - if (pdbEntry.getProperty().get("chains") != null) - { - title.append(" Chain:"); - title.append(pdbEntry.getProperty().get("chains")); - } + title.append(" Method: ").append(method); + } + String chain = (String) pdbe.getProperty("chains"); + if (chain != null) + { + title.append(" Chain:").append(chain); } } return title.toString(); @@ -522,6 +523,10 @@ public abstract class AAStructureBindingModel extends { int refStructure = -1; String[] files = getPdbFile(); + if (files == null) + { + return -1; + } for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++) { StructureMapping[] mappings = getSsm().getMapping(files[pdbfnum]); @@ -566,7 +571,11 @@ public abstract class AAStructureBindingModel extends } structures[pdbfnum].pdbId = mapping.getPdbId(); structures[pdbfnum].isRna = theSequence.getRNA() != null; - // move on to next pdb file + + /* + * move on to next pdb file (ignore sequences for other chains + * for the same structure) + */ s = seqCountForPdbFile; break; } @@ -661,4 +670,12 @@ public abstract class AAStructureBindingModel extends { this.finishedInit = fi; } + + /** + * Returns a list of chains mapped in this viewer. + * + * @return + */ + public abstract List getChainNames(); + }