X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureMapping.java;h=147cc079e0cc94ccc90eaf7ac6087c38372a41b0;hb=17e77c3f2949a0729322b4a8d907f3f34b6a9914;hp=b119e734a235987f03c56be2e8c2ed59f268a0dd;hpb=506d60f0e188723ddc91c26824b41ac7034df3fe;p=jalview.git diff --git a/src/jalview/structure/StructureMapping.java b/src/jalview/structure/StructureMapping.java index b119e73..147cc07 100644 --- a/src/jalview/structure/StructureMapping.java +++ b/src/jalview/structure/StructureMapping.java @@ -1,24 +1,27 @@ /* - * 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 2.9) + * Copyright (C) 2015 The Jalview Authors * - * 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. + * + * 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 this program; if not, write to the Free Software - * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.structure; -import jalview.datamodel.*; +import jalview.datamodel.AlignmentAnnotation; +import jalview.datamodel.SequenceI; public class StructureMapping { @@ -61,6 +64,11 @@ public class StructureMapping return pdbid; } + /** + * + * @param seqpos + * @return 0 or corresponding atom number for the sequence position + */ public int getAtomNum(int seqpos) { if (mapping.length > seqpos) @@ -73,6 +81,11 @@ public class StructureMapping } } + /** + * + * @param seqpos + * @return 0 or the corresponding residue number for the sequence position + */ public int getPDBResNum(int seqpos) { if (mapping.length > seqpos) @@ -85,6 +98,11 @@ public class StructureMapping } } + /** + * + * @param pdbResNum + * @return -1 or the corresponding sequence position for a pdb residue number + */ public int getSeqPos(int pdbResNum) { for (int i = 0; i < mapping.length; i++) @@ -96,4 +114,37 @@ public class StructureMapping } return -1; } + + /** + * transfer a copy of an alignment annotation row in the PDB chain coordinate + * system onto the mapped sequence + * + * @param ana + * @return the copy that was remapped to the mapped sequence + * @note this method will create a copy and add it to the dataset sequence for + * the mapped sequence as well as the mapped sequence (if it is not a + * dataset sequence). + */ + public AlignmentAnnotation transfer(AlignmentAnnotation ana) + { + AlignmentAnnotation ala_copy = new AlignmentAnnotation(ana); + SequenceI ds = sequence; + while (ds.getDatasetSequence() != null) + { + ds = ds.getDatasetSequence(); + } + // need to relocate annotation from pdb coordinates to local sequence + // -1,-1 doesn't look at pdbresnum but fails to remap sequence positions... + + ala_copy.remap(ds, mapping, -1, -1, 0); + ds.addAlignmentAnnotation(ala_copy); + if (ds != sequence) + { + // mapping wasn't to an original dataset sequence, so we make a copy on + // the mapped sequence too + ala_copy = new AlignmentAnnotation(ala_copy); + sequence.addAlignmentAnnotation(ala_copy); + } + return ala_copy; + } }