X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureMapping.java;h=a62f1aea7413e5d7ad770d01b8aa207869ea95cf;hb=0611a46a5652c852426da0d024bb43e0756501c7;hp=d2dcb34108b6565ba24c3574b4946b68e6487db2;hpb=47168f025aefdaa044802bd5f8f510ffe43a4808;p=jalview.git diff --git a/src/jalview/structure/StructureMapping.java b/src/jalview/structure/StructureMapping.java index d2dcb34..a62f1ae 100644 --- a/src/jalview/structure/StructureMapping.java +++ b/src/jalview/structure/StructureMapping.java @@ -1,6 +1,6 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) - * Copyright (C) 2014 The Jalview Authors + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * @@ -20,7 +20,8 @@ */ package jalview.structure; -import jalview.datamodel.*; +import jalview.datamodel.AlignmentAnnotation; +import jalview.datamodel.SequenceI; public class StructureMapping { @@ -63,6 +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) @@ -75,6 +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) @@ -87,6 +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++) @@ -98,4 +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; + } }