Skip to content
Permalink

Comparing changes

Choose two branches to see what’s changed or to start a new pull request. If you need to, you can also or learn more about diff comparisons.

Open a pull request

Create a new pull request by comparing changes across two branches. If you need to, you can also . Learn more about diff comparisons here.
base repository: cdk/cdk
base: 28b3675ad59d
Choose a base ref
...
head repository: cdk/cdk
compare: 5ccd35406f38
Choose a head ref
  • 10 commits
  • 10 files changed
  • 3 contributors

Commits on Aug 3, 2013

  1. white-listing for export properties 

    Only properties explicitly inputed into SdfWriter should be
exported. This new behavior could be added with an extra constructor
that takes a Set of properties. Using existing constructors keeps
the old behavior.

Change-Id: I04d42b0d245f5b7479436396efecbcb6daf13669

Conflicts:
	src/main/org/openscience/cdk/io/SDFWriter.java
    @johnmay
    Joos Kiener authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    c9e2495 View commit details
    Browse the repository at this point in the history

  2. Unit tests for optional property writing. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>

Conflicts:
	src/test/org/openscience/cdk/io/SDFWriterTest.java
    @johnmay
    johnmay committed Aug 3, 2013
    Copy the full SHA
    5e43363 View commit details
    Browse the repository at this point in the history

  3. Removing output from unit tests. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay
    johnmay committed Aug 3, 2013
    Copy the full SHA
    e1192e3 View commit details
    Browse the repository at this point in the history

  4. Fixed the group for Ds (fixes #1282) 

    Change-Id: I8fdbb50f171697371090bc8c4615a1af4aa6d8e3
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    778b6d2 View commit details
    Browse the repository at this point in the history

  5. Basic unit test for bug 1305: null should not match AnyOrderQueryBond 

    Change-Id: Ia5f6b0e297d6ba571af690b534dc5fb3f2d1a5c0
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    84a691f View commit details
    Browse the repository at this point in the history

  6. Added a positive unit test too 

    Change-Id: Ica5ed8c3f3ab944da83e3c3bdfbd05fcc13e2826
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    d88944d View commit details
    Browse the repository at this point in the history

  7. Any bond order is fine, but the IBond must exist (fixes #1305) 

    Change-Id: Ida9971b5326c4e33e2c1513419b7ad8cb6ac9861
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    a63a708 View commit details
    Browse the repository at this point in the history

  8. Fixed the import, matching the cdkdeps and adapting for master 

    Change-Id: Ia1de7eea08c8b4ce0fb4b3e131d482634b14635f
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    3ff8582 View commit details
    Browse the repository at this point in the history

  9. Added Lv and Fl names and two missing elements (Uup and Uut) used in … 

    …Elements.java

Change-Id: I16cfb6e31a5eead58cef870ac5a4d25416870c59
Signed-off-by: John May <john.wilkinsonmay@gmail.com>

Conflicts:
	src/main/org/openscience/cdk/config/Elements.java
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    7970f6d View commit details
    Browse the repository at this point in the history

  10. Two convenience methods to make dealing with BODR data a lot easier 

    Change-Id: I1c29e2d1b412a898bf01ecc2a4d0bb3a145249cd
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw @johnmay
    egonw authored and johnmay committed Aug 3, 2013
    Copy the full SHA
    5ccd354 View commit details
    Browse the repository at this point in the history