5 Commits

Author SHA1 Message Date
David Cosgrove
73682f3700 Add explicit operator= and copy c'tors. (#9133)
Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2026-03-01 07:18:20 +01:00
Greg Landrum
2957ab4576 switch to catch2 v3 (#6898)
* switch to catch2 v3
Fixes #6894

* fix a couple of problems noticed in the CI builds

* more warning cleanup

* changes in response to review
2023-11-15 06:45:42 +01:00
Greg Landrum
594c58f86c make the catch tests build faster (#5284)
* reorg the catch tests
the goal here is to make the builds faster

* make that easier
2022-05-17 04:39:33 +02:00
Greg Landrum
df72c241c5 Improve test coverage and some bug fixes (#4536)
* test getIdOfEntryWithBitId()

* remove unused functions

* improve bv tests in python wrapper

* more UniformGrid tests

* improve deprotect coverage

* improve abbreviations coverage

* add operator!= to DeprotectData

* more testing for adjustQueryProperties

* fix a copy-paste bug

* copy-paste bug

* more testing

* more testing

* more testing

* fix an edge case bug in getValenceContrib

* more bond tests

* add operator!= to StereoInfo
tests StereoInfo::operator==

* make some internal functions testable

* more testing

* minor code cleanup

* fix some bad caching behavior in getDistanceMat() and get3DDistanceMat()

testing

* test FixeMolSizeMolBundle() copy ctor

* deprecate BalabanJ

* more testing

* testing

* mods to get things working for windows DLL builds
(don't bother running some of the tests there)

* fix a typo
2021-09-26 07:45:06 +02:00
Greg Landrum
3c597ae94c Allow Point2D to be constructed from Point3D (#2572)
* Allow Point2D to be constructed from Point3D

* document the new ctor
2019-07-30 06:42:44 -04:00