Greg Landrum 9d1b988799 Fixes #9143 (#9195) ...

* Fixes #9143
There is still some weirdness in the matching of ET bonds in macrocycles, but it is not connected to this change.

* adjust test to work on win (and mac?)

* tweak expected results for win ci

2026-03-24 10:03:02 +01:00

..

CMakeLists.txt

Cleanup some cmake dependencies (#3077)

2020-04-17 14:34:23 +02:00

testCrystalFF.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

TorsionAngleContribs.cpp

New contribs for DG (#7711)

2024-08-21 06:06:58 +02:00

TorsionAngleContribs.h

style: apply modernize-use-override (#8137)

2025-04-25 12:24:58 +02:00

TorsionAngleM6.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

TorsionAngleM6.h

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

torsionPreferences_macrocycles.in

Fixes #9143 (#9195)

2026-03-24 10:03:02 +01:00

torsionPreferences_smallrings.in

Improve Conformational Sampling of Small and Large Ring Molecules (#2999)

2020-03-23 14:57:46 +01:00

torsionPreferences_v1.in

Version 2 of ETKDG (#1597)

2017-11-15 06:50:39 +01:00

torsionPreferences_v2.in

Version 2 of ETKDG (#1597)

2017-11-15 06:50:39 +01:00

TorsionPreferences.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

TorsionPreferences.h

update default ET version to 2 in getExperimentalTorsions (#8798)

2025-09-24 05:56:35 +02:00