Commit Graph

6 Commits

Author SHA1 Message Date
Greg Landrum
34c5d04d95 Fix #2148 and #2244 (#2275)
* not quite done yet

* Fixes #2244

* Fixes #2148

This fixes a few of the knock-on effects of the actual fix.

* Test that we still write SMILES properly

* Fixes #2266 (#2269)

* Fixes #2268 (#2270)

* Improve interactivity of output SVG (#2253)

* Add clickable atoms when tagAtoms() is called

* add python tests

* add class tags for atoms and bonds

* add marker to allow easy insertion of extra text
2019-03-26 11:22:18 +01:00
Greg Landrum
f23a8d7614 Fixes #2224 (#2234)
* Fixes #2224

* test the basics
2019-02-21 08:09:51 +01:00
Greg Landrum
ba40ecaca1 Fixes #299 (#2100)
add a fallback for when the original algorithm fails
2018-10-11 17:24:15 -04:00
Greg Landrum
17323d11bf Modify removeHs so that it does not remove degree 0 atoms (#2089)
* Modify removeHs so that it does not remove degree 0 atoms
Update the docs at the same time.

* include a warning when not removing some Hs

* clear up a problem with the warning log
2018-10-05 13:43:09 -04:00
Greg Landrum
ffc123a665 Fixes #2062 (#2079) 2018-10-02 11:41:22 -04:00
Greg Landrum
223513a76e Start to use Catch2 for new tests (#1732)
* backup

* build works

* works

* builds on linux

* rename the test

* add another test to make sure that works
2018-09-04 10:32:17 -04:00