package jalview.fts.service.alphafold; import java.net.MalformedURLException; import java.net.URL; import java.util.ArrayList; import java.util.Collection; import java.util.List; import java.util.Map; import java.util.Objects; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.SequenceI; import jalview.fts.api.FTSData; import jalview.fts.api.FTSDataColumnI; import jalview.fts.core.FTSRestRequest; import jalview.util.DBRefUtils; import jalview.util.HttpUtils; import jalview.ws.dbsources.EBIAlfaFold; public class AlphafoldRestClient { /** * turns a uniprot ID into a fake alphafold entry for the structure chooser - * fakes PDB fields in response * * @param UniprotID * @return null or an FTS Record (if alphafold thinks it has a structure) */ public static List getFTSData(// Map pdbJsonDoc, FTSRestRequest request) { List records = new ArrayList(); String primaryKey = null; Object[] summaryRowData; SequenceI associatedSequence; Collection diplayFields = request.getWantedFields(); SequenceI associatedSeq = request.getAssociatedSequence(); for (DBRefEntry upref : DBRefUtils .selectRefs(associatedSeq.getPrimaryDBRefs(), new String[] { DBRefSource.UNIPROT })) { String alphaFoldId = "AF-" + upref.getAccessionId() + "-F1"; try { String urls = EBIAlfaFold.getAlphaFoldCifDownloadUrl(alphaFoldId); URL url = new URL(urls); if (!HttpUtils.checkUrlAvailable(url, 50)) { continue; } } catch (Exception mfe) { jalview.bin.Cache.log.debug("Exception accessing urls", mfe); continue; } int colCounter = 0; summaryRowData = new Object[(associatedSeq != null) ? diplayFields.size() + 1 : diplayFields.size()]; if (associatedSeq != null) { associatedSequence = associatedSeq; summaryRowData[0] = associatedSequence; colCounter = 1; } for (FTSDataColumnI field : diplayFields) { String fieldData = "alphafold";// (pdbJsonDoc.get(field.getCode()) == // null) ? "" // : pdbJsonDoc.get(field.getCode()).toString(); if (field.isPrimaryKeyColumn()) { primaryKey = alphaFoldId; summaryRowData[colCounter++] = alphaFoldId; } else if (fieldData == null || fieldData.isEmpty()) { summaryRowData[colCounter++] = null; } else { try { summaryRowData[colCounter++] = (field.getDataType() .getDataTypeClass() == Integer.class) ? 1 : (field.getDataType() .getDataTypeClass() == Double.class) ? 1.3131313 : "AlphaFold clarity"; } catch (Exception e) { e.printStackTrace(); System.out.println("offending value:" + fieldData); } } } final String primaryKey1 = primaryKey; final Object[] summaryRowData1 = summaryRowData; records.add(new FTSData() { @Override public Object[] getSummaryData() { return summaryRowData1; } @Override public Object getPrimaryKey() { return primaryKey1; } /** * Returns a string representation of this object; */ @Override public String toString() { StringBuilder summaryFieldValues = new StringBuilder(); for (Object summaryField : summaryRowData1) { summaryFieldValues.append( summaryField == null ? " " : summaryField.toString()) .append("\t"); } return summaryFieldValues.toString(); } /** * Returns hash code value for this object */ @Override public int hashCode() { return Objects.hash(primaryKey1, this.toString()); } @Override public boolean equals(Object that) { return this.toString().equals(that.toString()); } }); } return records; } }