/* * Jalview - A Sequence Alignment Editor and Viewer (Version 2.7) * Copyright (C) 2011 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle * * 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 . */ package jalview.structure; import jalview.datamodel.*; public class StructureMapping { String mappingDetails; SequenceI sequence; String pdbfile; String pdbid; String pdbchain; // Mapping index 0 is resNum, index 1 is atomNo int[][] mapping; public StructureMapping(SequenceI seq, String pdbfile, String pdbid, String chain, int[][] mapping, String mappingDetails) { sequence = seq; this.pdbfile = pdbfile; this.pdbid = pdbid; this.pdbchain = chain; this.mapping = mapping; this.mappingDetails = mappingDetails; } public SequenceI getSequence() { return sequence; } public String getChain() { return pdbchain; } public String getPdbId() { return pdbid; } public int getAtomNum(int seqpos) { if (mapping.length > seqpos) { return mapping[seqpos][1]; } else { return 0; } } public int getPDBResNum(int seqpos) { if (mapping.length > seqpos) { return mapping[seqpos][0]; } else { return 0; } } public int getSeqPos(int pdbResNum) { for (int i = 0; i < mapping.length; i++) { if (mapping[i][0] == pdbResNum) { return i; } } return -1; } }