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branch: master

Sep 30, 2013

  1. Arvid Berg

    Release 2.6.1

    Merge branch '2.6.1'
    goglepox authored

Sep 12, 2013

  1. Arvid Berg

    Update message for bond order 4

    see bug 3549
    goglepox authored

Sep 11, 2013

  1. Arvid Berg

    Fix editor for 3d-sdfiles

    Fixes mistake du to another fix
    Solves bug 3565
    goglepox authored

Sep 04, 2013

  1. Arvid Berg

    Merge pull request #34 from egonw/feature/pubchemrdfUpdates

    PubChem updates: some fixes, missing unit tests, and a single new API method
    goglepox authored

Aug 30, 2013

  1. Arvid Berg

    Add error message for properties who's key is not a string

    goglepox authored

Aug 26, 2013

  1. Egon Willighagen

    Reuse the downloadAsString method, and use application/rdf+xml to act…

    …ually get RDF not HTML
    egonw authored
  2. Egon Willighagen

    Fixed the BSL docs

    egonw authored
  3. Egon Willighagen

    Added the remaining missing unit tests

    egonw authored
  4. Egon Willighagen

    Fixed the API method implementation: removed non-existing parameter

    egonw authored
  5. Egon Willighagen

    Added a method to download PubChemRDF

    egonw authored
  6. Egon Willighagen

    Added a missing test method

    egonw authored
  7. Egon Willighagen

    Added TestClasses/-Methods annotation

    egonw authored

Aug 23, 2013

  1. Arvid Berg

    Replace equals and adds hash code

    The molecules should be equal if they have the same CID
    Both methods are generated by eclipse
    goglepox authored
  2. Arvid Berg

    Adds ability to be adapted to ImageDescriptor

    goglepox authored
  3. Arvid Berg

    Makes chemspider require version 1.1.1 of org.apache.commons.logging

    to force it to use the slf4j version
    goglepox authored
  4. Arvid Berg

    Unregister listener when disposed

    Should solve bug 3547
    goglepox authored
  5. Arvid Berg

    Make use of SilenChemObjectBuilder

    instead of DefaultChemObjectBuilder
    goglepox authored
  6. Arvid Berg

    Wait for file creation before continue for appendSDF test

    Hack to make the test pass.
    Resource check when testing file operation should be built in to our test framework.
    Also adds more information when testBug3394 fails
    goglepox authored

Aug 22, 2013

  1. KlasJoensson

    Makes the SMILES parser to preserve aromaticity.

    KlasJoensson authored
  2. Egon Willighagen

    Aromaticity detection uses atom type information, not bond orders

    egonw authored KlasJoensson committed

Aug 15, 2013

  1. Arvid Berg

    If reader accepts Molecule.class send in a IMolecule

    instead of an IAtomContianer
    goglepox authored

Aug 14, 2013

  1. Arvid Berg

    Change from log4j to slf4j

    goglepox authored
  2. Arvid Berg

    Make manager member non static

    goglepox authored

Aug 13, 2013

  1. Arvid Berg

    Merge pull request #33 from egonw/feature/opsinTestSuite

    OPSIN manager test suite
    goglepox authored
  2. Egon Willighagen

    Include the OPSIN unit tests in the test feature (as run on Jenkins)

    egonw authored
  3. Egon Willighagen

    Added unit tests for the OPSIN manager

    egonw authored
  4. Arvid Berg

    Removed method that appears unused

    I see no reason for this being in the wizard page
    Also it opens the possibility for bad code and could
    cause OSGi class loading issue if used
    goglepox authored
  5. Arvid Berg

    Replace / with _ in search result folder for pubchem wizard

    This solves the immediate problem of folders not
    being created
    
    Solves bug 3546
    goglepox authored
  6. Arvid Berg

    Update to OPSIN 1.5.0

    Sovles bug 3542
    goglepox authored

Aug 07, 2013

  1. Arvid Berg

    Feature version set to 2.6.1

    goglepox authored
  2. Arvid Berg

    Updates bundle versions to 2.6.1

    goglepox authored
  3. Arvid Berg

    Add releng component for building with buckminster

    This enables mirroring of the p2.site using p2 actions from buckminster
    This file also contians extra dependencies needed to build the bundles in this repo
    goglepox authored
  4. Arvid Berg

    Merge pull request #31 from bioclipse/Bug3538

    Adds recalculation of atom typing and aromaticy detection
    goglepox authored

Jul 04, 2013

  1. KlasJoensson

    Adds a recalculation of atom typing and aromaticy detection after the

    bond-orders have been decided.
    KlasJoensson authored

May 23, 2013

  1. Arvid Berg

    Merge branch 'Bug3465' into develop

    goglepox authored
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