Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Browse files
Browse the repository at this point in the history
- Modified getTotalHydrogenCount(IAtomContainer) to actually provide …
…the total hydrogen count. the only classes invoking this are AtomContainerSetManipulator and MoleculeSetManipulator the test on each of these were tested and worked as expected. - Added method to just count implicit hydrogens (as the pervious method actually did) - Modified existing unit test to reflect the change to total hydrogen count - Added three new unit tests for the new implicit method - Added null check and exception throw on new/existing methods Change-Id: Ic96d8b7fea6546d46c0f8ea329a2cc5a3ba74093 Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
- Loading branch information
Showing
2 changed files
with
118 additions
and
17 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters