X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FAtom.java;h=0a3bd3988ed0fdb55b89d5ba64957cfc404d9452;hb=9ff5fcbe6681e37c441656e2f704f8d9bab9179c;hp=e69e1ce6d99d8fd4f0bf88a903234c10d237a483;hpb=506d60f0e188723ddc91c26824b41ac7034df3fe;p=jalview.git diff --git a/src/MCview/Atom.java b/src/MCview/Atom.java index e69e1ce..0a3bd39 100755 --- a/src/MCview/Atom.java +++ b/src/MCview/Atom.java @@ -1,20 +1,19 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.4) - * Copyright (C) 2008 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.6) + * Copyright (C) 2010 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 - * of the License, or (at your option) any later version. + * This file is part of Jalview. * - * This program is distributed in the hope that it will be useful, - * but WITHOUT ANY WARRANTY; without even the implied warranty of - * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - * GNU General Public License for more details. + * Jalview is free software: you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. * - * You should have received a copy of the GNU General Public License - * along with this program; if not, write to the Free Software - * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA + * Jalview is distributed in the hope that it will be useful, but + * WITHOUT ANY WARRANTY; without even the implied warranty + * of MERCHANTABILITY or FITNESS FOR A PARTICULAR + * PURPOSE. See the GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License along with Jalview. If not, see . */ package MCview; @@ -51,9 +50,10 @@ public class Atom public int atomIndex; public float occupancy = 0; - + public float tfactor = 0; - + // need these if we ever want to export Atom data + // public boolean tfacset=true,occset=true; public boolean isSelected = false; public Atom(String str) @@ -72,9 +72,22 @@ public class Atom this.x = (float) (new Float(str.substring(30, 38).trim()).floatValue()); this.y = (float) (new Float(str.substring(38, 46).trim()).floatValue()); this.z = (float) (new Float(str.substring(47, 55).trim()).floatValue()); - occupancy = (float) (new Float(str.substring(54, 60).trim()) - .floatValue()); - tfactor = (float) (new Float(str.substring(60, 66).trim()).floatValue()); + // optional entries - see JAL-730 + String tm = str.substring(54, 60).trim(); + if (tm.length()>0) { + occupancy = (float) (new Float(tm)).floatValue(); + } else { + occupancy = 1f; // default occupancy + // see note above: occset=false; + } + tm = str.substring(60, 66).trim(); + if (tm.length()>0) + { + tfactor = (float) (new Float(tm).floatValue()); + } else { + tfactor = 1f; + //see note above: tfacset=false; + } } public Atom(float x, float y, float z)