X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FAtom.java;fp=src%2FMCview%2FAtom.java;h=eb91e4ec5ff7743d5d88963798ee50325732d1da;hb=8946f41687f4c822ac8d15ee8551f23f156735c4;hp=a2ce2aea08d761263c1626f6e1a026d9e49ba557;hpb=1ed1e912bfd2b5123fcd0395581adf117f5bbaff;p=jalview.git diff --git a/src/MCview/Atom.java b/src/MCview/Atom.java old mode 100755 new mode 100644 index a2ce2ae..eb91e4e --- a/src/MCview/Atom.java +++ b/src/MCview/Atom.java @@ -1,136 +1,6 @@ -/* - * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) - * Copyright (C) $$Year-Rel$$ The Jalview Authors - * - * This file is part of Jalview. - * - * 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. - * - * 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 . - * The Jalview Authors are detailed in the 'AUTHORS' file. - */ package MCview; -import jalview.schemes.ResidueProperties; - -import java.awt.Color; - public class Atom { - public float x; - - public float y; - - public float z; - - public int number; - - public String name; - - public String resName; - - public int resNumber; - - public char insCode = ' '; - - public String resNumIns = null; - - public int type; - - Color color = Color.lightGray; - - public String chain; - - /** - * this is a temporary value - designed to store the position in sequence that - * this atom corresponds to after aligning the chain to a SequenceI object. Do - * not rely on its value being correct when visualizing sequence colourings on - * the structure - use the StructureSelectionManager's mapping instead. - */ - public int alignmentMapping = -1; - - 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) - { - atomIndex = Integer.parseInt(str.substring(6, 11).trim()); - - name = str.substring(12, 15).trim(); - - resName = str.substring(17, 20); - // JAL-1828 treat MSE Selenomethionine as MET (etc) - resName = ResidueProperties.getCanonicalAminoAcid(resName); - - chain = str.substring(21, 22); - - resNumber = Integer.parseInt(str.substring(22, 26).trim()); - resNumIns = str.substring(22, 27).trim(); - insCode = str.substring(26, 27).charAt(0); - this.x = (Float.valueOf(str.substring(30, 38).trim()).floatValue()); - this.y = (Float.valueOf(str.substring(38, 46).trim()).floatValue()); - this.z = (Float.valueOf(str.substring(47, 55).trim()).floatValue()); - // optional entries - see JAL-730 - String tm = str.substring(54, 60).trim(); - if (tm.length() > 0) - { - occupancy = (Float.valueOf(tm)).floatValue(); - } - else - { - occupancy = 1f; // default occupancy - // see note above: occset=false; - } - tm = str.substring(60, 66).trim(); - if (tm.length() > 0) - { - tfactor = (Float.valueOf(tm).floatValue()); - } - else - { - tfactor = 1f; - // see note above: tfacset=false; - } - } - - @Override - public boolean equals(Object that) - { - if (this == that || that == null) - { - return true; - } - if (that instanceof Atom) - { - Atom other = (Atom) that; - return other.resName.equals(this.resName) - && other.resNumber == this.resNumber - && other.resNumIns.equals(this.resNumIns) - && other.chain.equals(this.chain); - } - return false; - } - public Atom(float x, float y, float z) - { - this.x = x; - this.y = y; - this.z = z; - } }