X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJalviewJmolBinding.java;h=08ea052903f0e2cead690f5d099a5f62ff171d6d;hb=dadeab44d8d46ef588e326efb69599baa86a083b;hp=17433c51f055344043490ec255fef46954a91136;hpb=1dd1e3cd8272449af3fe4dfa3f69239ca4ae471b;p=jalview.git diff --git a/src/jalview/ext/jmol/JalviewJmolBinding.java b/src/jalview/ext/jmol/JalviewJmolBinding.java index 17433c5..08ea052 100644 --- a/src/jalview/ext/jmol/JalviewJmolBinding.java +++ b/src/jalview/ext/jmol/JalviewJmolBinding.java @@ -188,7 +188,6 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel @Override public synchronized String[] getStructureFiles() { - List mset = new ArrayList<>(); if (jmolViewer == null) { return new String[0]; @@ -198,10 +197,15 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel { int modelCount = jmolViewer.ms.mc; String filePath = null; + List mset = new ArrayList<>(); for (int i = 0; i < modelCount; ++i) { + /* + * defensive check for null as getModelFileName can return null + * even when model count ms.mc is > 0 + */ filePath = jmolViewer.ms.getModelFileName(i); - if (!mset.contains(filePath)) + if (filePath != null && !mset.contains(filePath)) { mset.add(filePath); } @@ -256,52 +260,32 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel public void highlightAtom(int atomIndex, int pdbResNum, String chain, String pdbfile) { - if (modelFileNames == null) - { - return; - } - - // look up file model number for this pdbfile - int mdlNum = 0; - // may need to adjust for URLencoding here - we don't worry about that yet. - while (mdlNum < modelFileNames.length - && !pdbfile.equals(modelFileNames[mdlNum])) - { - mdlNum++; - } - if (mdlNum == modelFileNames.length) + String modelId = getModelIdForFile(pdbfile); + if (modelId.isEmpty()) { return; } jmolHistory(false); + StringBuilder selection = new StringBuilder(32); StringBuilder cmd = new StringBuilder(64); - cmd.append("select ").append(String.valueOf(pdbResNum)); // +modelNum - - resetLastRes.append("select ").append(String.valueOf(pdbResNum)); // +modelNum - - cmd.append(":"); - resetLastRes.append(":"); + selection.append("select ").append(String.valueOf(pdbResNum)); + selection.append(":"); if (!chain.equals(" ")) { - cmd.append(chain); - resetLastRes.append(chain); + selection.append(chain); } - { - cmd.append(" /").append(String.valueOf(mdlNum + 1)); - resetLastRes.append("/").append(String.valueOf(mdlNum + 1)); - } - cmd.append(";wireframe 100;" + cmd.toString() + " and not hetero;"); + selection.append(" /").append(modelId); - resetLastRes.append(";wireframe 0;" + resetLastRes.toString() - + " and not hetero; spacefill 0;"); + cmd.append(selection).append(";wireframe 100;").append(selection) + .append(" and not hetero;").append("spacefill 200;select none"); - cmd.append("spacefill 200;select none"); + resetLastRes.append(selection).append(";wireframe 0;").append(selection) + .append(" and not hetero; spacefill 0;"); jmolViewer.evalStringQuiet(cmd.toString()); jmolHistory(true); - } private boolean debug = true;