Class PubChemManager

java.lang.Object
net.bioclipse.managers.PubChemManager
All Implemented Interfaces:
IBactingManager, net.bioclipse.managers.business.IBioclipseManager

public class PubChemManager extends Object implements IBactingManager
Bioclipse manager that provides functionality to interact with the PubChem database.
  • Constructor Details

    • PubChemManager

      public PubChemManager(String workspaceRoot)
      Creates a new PubChemManager.
      Parameters:
      workspaceRoot - location of the workspace, e.g. "."
  • Method Details

    • search

      public List<Integer> search(String query) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Searches PubChem for compounds using the given query.
      Parameters:
      query - the string to search in PubChem
      Returns:
      a Java List of PubChem compound identifiers
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • getManagerName

      public String getManagerName()
      Specified by:
      getManagerName in interface net.bioclipse.managers.business.IBioclipseManager
    • doi

      public List<String> doi()
      Description copied from interface: IBactingManager
      Lists the DOIs of the articles associated to this manager.
      Specified by:
      doi in interface IBactingManager
      Returns:
      a List of String with DOIs
    • download

      public net.bioclipse.core.domain.IMolecule download(Integer cid) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • downloadAsString

      public String downloadAsString(Integer cid) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • downloadRDF

      public net.bioclipse.rdf.business.IRDFStore downloadRDF(Integer cid, net.bioclipse.rdf.business.IRDFStore store) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • download3d

      public net.bioclipse.core.domain.IMolecule download3d(Integer cid) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • download3dAsString

      public String download3dAsString(Integer cid) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • download

      public List<net.bioclipse.core.domain.IMolecule> download(List<Integer> cids) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • download3d

      public List<net.bioclipse.core.domain.IMolecule> download3d(List<Integer> cids) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • loadCompound

      public String loadCompound(int cid, String target) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • loadCompound3d

      public String loadCompound3d(int cid, String target) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException
    • loadCompoundRDF

      public String loadCompoundRDF(int cid, String target) throws IOException, net.bioclipse.core.business.BioclipseException, org.eclipse.core.runtime.CoreException
      Throws:
      IOException
      net.bioclipse.core.business.BioclipseException
      org.eclipse.core.runtime.CoreException