X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fdbsources%2FPDBRestClient.java;h=7a5d2412de688c834e812098492012b1800ca6ad;hb=3c24b4f3503fb8dc9183383369284d7ea0adfd11;hp=67ab3f220bdac8046a18e3d22c196e486b50b8c3;hpb=ddeb701f639a19574ad9caf87c2db74e4c4dd786;p=jalview.git diff --git a/src/jalview/ws/dbsources/PDBRestClient.java b/src/jalview/ws/dbsources/PDBRestClient.java index 67ab3f2..7a5d241 100644 --- a/src/jalview/ws/dbsources/PDBRestClient.java +++ b/src/jalview/ws/dbsources/PDBRestClient.java @@ -1,5 +1,26 @@ +/* + * 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 jalview.ws.dbsources; +import jalview.util.MessageManager; import jalview.ws.uimodel.PDBRestRequest; import jalview.ws.uimodel.PDBRestResponse; import jalview.ws.uimodel.PDBRestResponse.PDBResponseSummary; @@ -22,7 +43,6 @@ import com.sun.jersey.api.client.WebResource; import com.sun.jersey.api.client.config.ClientConfig; import com.sun.jersey.api.client.config.DefaultClientConfig; - /** * A rest client for querying the Search endpoing of the PDB REST API * @@ -55,24 +75,60 @@ public class PDBRestClient .getWantedFields()); int responseSize = (pdbRestRequest.getResponseSize() == 0) ? DEFAULT_RESPONSE_SIZE : pdbRestRequest.getResponseSize(); - String sortParam = (pdbRestRequest.getFieldToSortBy() == null || pdbRestRequest - .getFieldToSortBy().trim().isEmpty()) ? "" : (pdbRestRequest - .getFieldToSortBy() + (pdbRestRequest.isAscending() ? " asc" - : " desc")); + String sortParam = null; + if (pdbRestRequest.getFieldToSortBy() == null + || pdbRestRequest.getFieldToSortBy().trim().isEmpty()) + { + sortParam = ""; + } + else + { + if (pdbRestRequest.getFieldToSortBy() + .equalsIgnoreCase("Resolution")) + { + sortParam = pdbRestRequest.getFieldToSortBy() + + (pdbRestRequest.isAscending() ? " asc" : " desc"); + } + else + { + sortParam = pdbRestRequest.getFieldToSortBy() + + (pdbRestRequest.isAscending() ? " desc" : " asc"); + } + } + String facetPivot = (pdbRestRequest.getFacetPivot() == null || pdbRestRequest + .getFacetPivot().isEmpty()) ? "" : pdbRestRequest + .getFacetPivot(); + String facetPivotMinCount = String.valueOf(pdbRestRequest + .getFacetPivotMinCount()); + // Build request parameters for the REST Request - WebResource webResource = client.resource(PDB_SEARCH_ENDPOINT) - .queryParam("wt", "json").queryParam("fl", wantedFields) - .queryParam("rows", String.valueOf(responseSize)) - .queryParam("q", pdbRestRequest.getQuery()) - .queryParam("sort", sortParam); - + WebResource webResource = null; + if (pdbRestRequest.isFacet()) + { + webResource = client.resource(PDB_SEARCH_ENDPOINT) + .queryParam("wt", "json").queryParam("fl", wantedFields) + .queryParam("rows", String.valueOf(responseSize)) + .queryParam("q", pdbRestRequest.getQuery()) + .queryParam("sort", sortParam).queryParam("facet", "true") + .queryParam("facet.pivot", facetPivot) + .queryParam("facet.pivot.mincount", facetPivotMinCount); + } + else + { + webResource = client.resource(PDB_SEARCH_ENDPOINT) + .queryParam("wt", "json").queryParam("fl", wantedFields) + .queryParam("rows", String.valueOf(responseSize)) + .queryParam("q", pdbRestRequest.getQuery()) + .queryParam("sort", sortParam); + } // Execute the REST request ClientResponse clientResponse = webResource.accept( MediaType.APPLICATION_JSON).get(ClientResponse.class); // Get the JSON string from the response object String responseString = clientResponse.getEntity(String.class); + // System.out.println("query >>>>>>> " + pdbRestRequest.toString()); // Check the response status and report exception if one occurs if (clientResponse.getStatus() != 200) @@ -103,16 +159,17 @@ public class PDBRestClient String exceptionMsg = e.getMessage(); if (exceptionMsg.contains("SocketException")) { - throw new Exception( - "Jalview is unable to detect an internet connection"); // No internet connection + throw new Exception( + MessageManager + .getString("exception.unable_to_detect_internet_connection")); } else if (exceptionMsg.contains("UnknownHostException")) { - throw new Exception( - "Jalview is unable to reach the host server \'www.ebi.ac.uk\'. " - + "\nPlease ensure that you are connected to the internet and try again."); // The server 'www.ebi.ac.uk' is unreachable + throw new Exception( + MessageManager + .getString("exception.pdb_server_unreachable")); } else { @@ -127,11 +184,12 @@ public class PDBRestClient switch (code) { case 410: - message = "PDB Rest Service no longer exists!"; + message = MessageManager + .getString("exception.pdb_rest_service_no_longer_available"); break; case 403: case 404: - message = "The requested resource could not be found"; + message = MessageManager.getString("exception.resource_not_be_found"); break; case 408: case 409: @@ -141,7 +199,7 @@ public class PDBRestClient case 503: case 504: case 505: - message = "There seems to be an error from the PDB Rest API server."; + message = MessageManager.getString("exception.pdb_server_error"); break; default: @@ -269,27 +327,40 @@ public class PDBRestClient * table. The PDB Id serves as a unique identifier for a given row in the * summary table * - * @param wantedFeilds + * @param wantedFields * the available table columns in no particular order * @return the pdb id field column index */ public static int getPDBIdColumIndex( - Collection wantedFeilds, boolean hasRefSeq) + Collection wantedFields, boolean hasRefSeq) { // If a reference sequence is attached then start counting from 1 else // start from zero - int pdbFeildIndexCounter = hasRefSeq ? 1 : 0; + int pdbFieldIndexCounter = hasRefSeq ? 1 : 0; - for (PDBDocField feild : wantedFeilds) + for (PDBDocField field : wantedFields) { - if (feild.equals(PDBDocField.PDB_ID)) + if (field.equals(PDBDocField.PDB_ID)) { break; // Once PDB Id index is determined exit iteration } - ++pdbFeildIndexCounter; + ++pdbFieldIndexCounter; + } + return pdbFieldIndexCounter; + } + + public static PDBDocField getPDBDocFieldByCode(String fieldCode) + throws Exception + { + for (PDBDocField curPDBDocField : PDBDocField.values()) + { + if (curPDBDocField.getCode().equalsIgnoreCase(fieldCode)) + { + return curPDBDocField; + } } - return pdbFeildIndexCounter; + throw new Exception("PDB doc Field not found!"); } /** @@ -298,89 +369,159 @@ public class PDBRestClient */ public enum PDBDocField { - PDB_ID("PDB Id", "pdb_id"), TITLE("Title", "title"), MOLECULE_NAME( - "Molecule", "molecule_name"), MOLECULE_TYPE("Molecule Type", - "molecule_type"), MOLECULE_SEQUENCE("Sequence", - "molecule_sequence"), PFAM_ACCESSION("PFAM Accession", - "pfam_accession"), PFAM_NAME("PFAM Name", "pfam_name"), INTERPRO_NAME( - "InterPro Name", "interpro_name"), INTERPRO_ACCESSION( - "InterPro Accession", "interpro_accession"), UNIPROT_ID( - "UniProt Id", "uniprot_id"), UNIPROT_ACCESSION( - "UniProt Accession", "uniprot_accession"), UNIPROT_COVERAGE( - "UniProt Coverage", "uniprot_coverage"), UNIPROT_FEATURES( - "Uniprot Features", "uniprot_features"), R_FACTOR("R Factor", - "r_factor"), RESOLUTION("Resolution", "resolution"), DATA_QUALITY( - "Data Quality", "data_quality"), OVERALL_QUALITY( - "Overall Quality", "overall_quality"), POLYMER_COUNT( - "Number of Polymers", "number_of_polymers"), PROTEIN_CHAIN_COUNT( - "Number of Protein Chains", "number_of_protein_chains"), BOUND_MOLECULE_COUNT( - "Number of Bound Molecule", "number_of_bound_molecules"), POLYMER_RESIDUE_COUNT( - "Number of Polymer Residue", "number_of_polymer_residues"), GENUS( - "GENUS", "genus"), GENE_NAME("Gene Name", "gene_name"), EXPERIMENTAL_METHOD( - "Experimental Method", "experimental_method"), GO_ID("GO Id", - "go_id"), ASSEMBLY_ID("Assembly Id", "assembly_form"), ASSEMBLY_FORM( - "Assembly Form", "assembly_id"), ASSEMBLY_TYPE("Assembly Type", - "assembly_type"), SPACE_GROUP("Space Group", "spacegroup"), CATH_CODE( - "Cath Code", "cath_code"), TAX_ID("Tax Id", "tax_id"), TAX_QUERY( - "Tax Query", "tax_query"), INTERACTING_ENTRY_ID( - "Interacting Entry Id", "interacting_entry_id"), INTERACTING_ENTITY_ID( - "Interacting Entity Id", "interacting_entity_id"), INTERACTING_MOLECULES( - "Interacting Molecules", "interacting_molecules"), PUBMED_ID( - "Pubmed Id", "pubmed_id"), STATUS("Status", "status"), MODEL_QUALITY( - "Model Quality", "model_quality"), PIVOT_RESOLUTION( - "Pivot Resolution", "pivot_resolution"), DATA_REDUCTION_SOFTWARE( - "Data reduction software", "data_reduction_software"), MAX_OBSERVED_RES( - "Max observed residues", "max_observed_residues"), ORG_SCI_NAME( - "Organism scientific name", "organism_scientific_name"), SUPER_KINGDOM( - "Super kingdom", "superkingdom"), RANK("Rank", "rank"), CRYSTALLISATION_PH( - "Crystallisation Ph", "crystallisation_ph"), BIOLOGICAL_FUNCTION( - "Biological Function", "biological_function"), BIOLOGICAL_PROCESS( - "Biological Process", "biological_process"), BIOLOGICAL_CELL_COMPONENT( - "Biological Cell Component", "biological_cell_component"), COMPOUND_NAME( - "Compound Name", "compound_name"), COMPOUND_ID("Compound Id", - "compound_id"), COMPOUND_WEIGHT("Compound Weight", - "compound_weight"), COMPOUND_SYSTEMATIC_NAME( - "Compound Systematic Name", "compound_systematic_name"), INTERACTING_LIG( - "Interacting Ligands", "interacting_ligands"), JOURNAL( - "Journal", "journal"), ALL_AUTHORS("All Authors", "all_authors"), EXPERIMENTAL_DATA_AVAILABLE( - "Experiment Data Available", "experiment_data_available"), DIFFRACTION_PROTOCOL( - "Diffraction Protocol", "diffraction_protocol"), REFINEMENT_SOFTWARE( - "Refinement Software", "refinement_software"), STRUCTURE_DETERMINATION_METHOD( + PDB_ID("PDB Id", "pdb_id", Group.CROSS_REFS), TITLE( + "Title", + "title", Group.MISCELLANEOUS), MOLECULE_NAME("Molecule", + "molecule_name", + Group.NAMES_AND_TAXONOMY), MOLECULE_TYPE( + "Molecule Type", "molecule_type", Group.NAMES_AND_TAXONOMY), MOLECULE_SEQUENCE( + "Sequence", "molecule_sequence", Group.MISCELLANEOUS), PFAM_ACCESSION( + "PFAM Accession", "pfam_accession", + Group.CROSS_REFS), PFAM_NAME( + "PFAM Name", "pfam_name", Group.NAMES_AND_TAXONOMY), INTERPRO_NAME( + "InterPro Name", "interpro_name", Group.NAMES_AND_TAXONOMY), INTERPRO_ACCESSION( + "InterPro Accession", "interpro_accession", + Group.CROSS_REFS), UNIPROT_ID("UniProt Id", + "uniprot_id", Group.CROSS_REFS), UNIPROT_ACCESSION( + "UniProt Accession", "uniprot_accession", + Group.CROSS_REFS), + + UNIPROT_COVERAGE( + "UniProt Coverage", "uniprot_coverage", Group.MISCELLANEOUS), UNIPROT_FEATURES( + "Uniprot Features", "uniprot_features", Group.MISCELLANEOUS), R_FACTOR( +"R Factor", + "r_factor", Group.QUALITY_MEASURES), RESOLUTION("Resolution", + "resolution", Group.QUALITY_MEASURES), DATA_QUALITY( + "Data Quality", "data_quality", Group.QUALITY_MEASURES), OVERALL_QUALITY( + "Overall Quality", "overall_quality", Group.QUALITY_MEASURES), POLYMER_COUNT( + "Number of Polymers", "number_of_polymers", Group.MISCELLANEOUS), PROTEIN_CHAIN_COUNT( + "Number of Protein Chains", "number_of_protein_chains", + Group.MISCELLANEOUS), BOUND_MOLECULE_COUNT( + "Number of Bound Molecule", "number_of_bound_molecules", + Group.MISCELLANEOUS), POLYMER_RESIDUE_COUNT( + "Number of Polymer Residue", "number_of_polymer_residues", + Group.MISCELLANEOUS), GENUS("GENUS", "genus", + Group.NAMES_AND_TAXONOMY), GENE_NAME("Gene Name", "gene_name", + Group.NAMES_AND_TAXONOMY), EXPERIMENTAL_METHOD( + "Experimental Method", "experimental_method", + Group.PROCEDURE_AND_SOFTWARE), GO_ID("GO Id", "go_id", + Group.CROSS_REFS), ASSEMBLY_ID("Assembly Id", + "assembly_id", Group.CROSS_REFS), ASSEMBLY_FORM( + "Assembly Form", "assembly_form", Group.MISCELLANEOUS), ASSEMBLY_TYPE( + "Assembly Type", "assembly_type", Group.MISCELLANEOUS), SPACE_GROUP( + "Space Group", "spacegroup", Group.MISCELLANEOUS), CATH_CODE( + "Cath Code", "cath_code", Group.CROSS_REFS), TAX_ID( + "Tax Id", "tax_id", Group.CROSS_REFS), TAX_QUERY( + "Tax Query", "tax_query", Group.CROSS_REFS), INTERACTING_ENTITY_ID( + "Interacting Entity Id", "interacting_entity_id", + Group.CROSS_REFS), INTERACTING_MOLECULES( + "Interacting Molecules", "interacting_molecules", + Group.MISCELLANEOUS), PUBMED_ID("Pubmed Id", "pubmed_id", + Group.CROSS_REFS), STATUS("Status", "status", + Group.MISCELLANEOUS), MODEL_QUALITY("Model Quality", + "model_quality", Group.QUALITY_MEASURES), PIVOT_RESOLUTION( + "Pivot Resolution", "pivot_resolution", Group.QUALITY_MEASURES), DATA_REDUCTION_SOFTWARE( + "Data reduction software", "data_reduction_software", + Group.PROCEDURE_AND_SOFTWARE), MAX_OBSERVED_RES( + "Max observed residues", + "max_observed_residues", Group.MISCELLANEOUS), ORG_SCI_NAME( + "Organism scientific name", "organism_scientific_name", + Group.NAMES_AND_TAXONOMY), SUPER_KINGDOM("Super kingdom", + "superkingdom", Group.NAMES_AND_TAXONOMY), RANK("Rank", "rank", + Group.NAMES_AND_TAXONOMY), CRYSTALLISATION_PH( + "Crystallisation Ph", + "crystallisation_ph", Group.MISCELLANEOUS), BIOLOGICAL_FUNCTION( + "Biological Function", "biological_function", + Group.MISCELLANEOUS), BIOLOGICAL_PROCESS("Biological Process", + "biological_process", Group.MISCELLANEOUS), BIOLOGICAL_CELL_COMPONENT( + "Biological Cell Component", "biological_cell_component", + Group.MISCELLANEOUS), COMPOUND_NAME("Compound Name", + "compound_name", Group.NAMES_AND_TAXONOMY), COMPOUND_ID( + "Compound Id", "compound_id", Group.CROSS_REFS), COMPOUND_WEIGHT( + "Compound Weight", "compound_weight", Group.MISCELLANEOUS), COMPOUND_SYSTEMATIC_NAME( + "Compound Systematic Name", "compound_systematic_name", + Group.NAMES_AND_TAXONOMY), INTERACTING_LIG( + "Interacting Ligands", + "interacting_ligands", Group.MISCELLANEOUS), JOURNAL("Journal", + "journal", Group.MISCELLANEOUS), ALL_AUTHORS("All Authors", + "all_authors", Group.MISCELLANEOUS), EXPERIMENTAL_DATA_AVAILABLE( + "Experiment Data Available", "experiment_data_available", + Group.MISCELLANEOUS), DIFFRACTION_PROTOCOL( + "Diffraction Protocol", "diffraction_protocol", + Group.PROCEDURE_AND_SOFTWARE), REFINEMENT_SOFTWARE( + "Refinement Software", "refinement_software", + Group.PROCEDURE_AND_SOFTWARE), STRUCTURE_DETERMINATION_METHOD( "Structure Determination Method", - "structure_determination_method"), SYNCHROTON_SITE( - "Synchrotron Site", "synchrotron_site"), SAMPLE_PREP_METHOD( - "Sample Preparation Method", "sample_preparation_method"), ENTRY_AUTHORS( - "Entry Authors", "entry_authors"), CITATION_TITLE( - "Citation Title", "citation_title"), STRUCTURE_SOLUTION_SOFTWARE( - "Structure Solution Software", "structure_solution_software"), ENTRY_ENTITY( - "Entry Entity", "entry_entity"), R_FREE("R Free", "r_free"), NO_OF_POLYMER_ENTITIES( - "Number of Polymer Entities", "number_of_polymer_entities"), NO_OF_BOUND_ENTITIES( - "Number of Bound Entities", "number_of_bound_entities"), CRYSTALLISATION_RESERVOIR( - "Crystallisation Reservoir", "crystallisation_reservoir"), DATA_SCALING_SW( - "Data Scalling Software", "data_scaling_software"), DETECTOR( - "Detector", "detector"), DETECTOR_TYPE("Detector Type", - "detector_type"), MODIFIED_RESIDUE_FLAG( - "Modified Residue Flag", "modified_residue_flag"), NUMBER_OF_COPIES( - "Number of Copies", "number_of_copies"), STRUCT_ASYM_ID( - "Struc Asym Id", "struct_asym_id"), HOMOLOGUS_PDB_ENTITY_ID( - "Homologus PDB Entity Id", "homologus_pdb_entity_id"), MOLECULE_SYNONYM( - "Molecule Synonym", "molecule_synonym"), DEPOSITION_SITE( - "Deposition Site", "deposition_site"), SYNCHROTRON_BEAMLINE( - "Synchrotron Beamline", "synchrotron_beamline"), ENTITY_ID( - "Entity Id", "entity_id"), BEAM_SOURCE_NAME("Beam Source Name", - "beam_source_name"), PROCESSING_SITE("Processing Site", - "processing_site"), ENTITY_WEIGHT("Entity Weight", - "entity_weight"), VERSION("Version", "_version_"), ALL("ALL", - "text"); + "structure_determination_method", Group.PROCEDURE_AND_SOFTWARE), SYNCHROTON_SITE( + "Synchrotron Site", "synchrotron_site", Group.MISCELLANEOUS), SAMPLE_PREP_METHOD( + "Sample Preparation Method", "sample_preparation_method", + Group.PROCEDURE_AND_SOFTWARE), ENTRY_AUTHORS("Entry Authors", + "entry_authors", Group.MISCELLANEOUS), CITATION_TITLE( + "Citation Title", "citation_title", Group.MISCELLANEOUS), STRUCTURE_SOLUTION_SOFTWARE( + "Structure Solution Software", "structure_solution_software", + Group.PROCEDURE_AND_SOFTWARE), ENTRY_ENTITY("Entry Entity", + "entry_entity", Group.MISCELLANEOUS), R_FREE("R Free", "r_free", + Group.QUALITY_MEASURES), NO_OF_POLYMER_ENTITIES( + "Number of Polymer Entities", "number_of_polymer_entities", + Group.MISCELLANEOUS), NO_OF_BOUND_ENTITIES( + "Number of Bound Entities", "number_of_bound_entities", + Group.MISCELLANEOUS), CRYSTALLISATION_RESERVOIR( + "Crystallisation Reservoir", "crystallisation_reservoir", + Group.MISCELLANEOUS), DATA_SCALING_SW("Data Scalling Software", + "data_scaling_software", Group.PROCEDURE_AND_SOFTWARE), DETECTOR( + "Detector", "detector", Group.MISCELLANEOUS), DETECTOR_TYPE( + "Detector Type", "detector_type", Group.MISCELLANEOUS), MODIFIED_RESIDUE_FLAG( + "Modified Residue Flag", "modified_residue_flag", + Group.MISCELLANEOUS), NUMBER_OF_COPIES("Number of Copies", + "number_of_copies", Group.MISCELLANEOUS), STRUCT_ASYM_ID( + "Struc Asym Id", "struct_asym_id", + Group.CROSS_REFS), HOMOLOGUS_PDB_ENTITY_ID( + "Homologus PDB Entity Id", "homologus_pdb_entity_id", + Group.CROSS_REFS), MOLECULE_SYNONYM( + "Molecule Synonym", + "molecule_synonym", Group.MISCELLANEOUS), DEPOSITION_SITE( + "Deposition Site", "deposition_site", Group.MISCELLANEOUS), SYNCHROTRON_BEAMLINE( + "Synchrotron Beamline", "synchrotron_beamline", + Group.MISCELLANEOUS), ENTITY_ID("Entity Id", "entity_id", + Group.CROSS_REFS), BEAM_SOURCE_NAME( + "Beam Source Name", + "beam_source_name", + Group.NAMES_AND_TAXONOMY), PROCESSING_SITE( + "Processing Site", "processing_site", Group.MISCELLANEOUS), ENTITY_WEIGHT( + "Entity Weight", "entity_weight", Group.MISCELLANEOUS), VERSION( + "Version", "_version_", Group.MISCELLANEOUS), ALL("ALL", "text", + Group.MISCELLANEOUS); + + private enum Group + { + DATE_OF("Date Of"), NAMES_AND_TAXONOMY("Names & Taxonomy"), + MISCELLANEOUS("Miscellaneous"), QUALITY_MEASURES("Quality Measures"), + CROSS_REFS("Cross References"), PROCEDURE_AND_SOFTWARE( + "Procedures & Softwares"); + + Group(String name) + { + this.name = name; + } + + private String name; + public String getName() + { + return this.name; + } + }; private String name; private String code; - PDBDocField(String name, String code) + private Group group; + + PDBDocField(String name, String code, Group group) { this.name = name; this.code = code; + this.group = group; } public String getName() @@ -393,9 +534,15 @@ public class PDBRestClient return code; } + public String getGroup() + { + return group.getName(); + } + + @Override public String toString() { return name; } } -} \ No newline at end of file +}