Brian Kelley fb84c9f0b7 Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

..

AngleBend.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

AngleBend.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

AngleConstraint.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

AngleConstraint.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

BondStretch.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

BondStretch.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

CMakeLists.txt

get this building on windows

2015-03-15 06:57:24 +01:00

Contribs.h

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

DistanceConstraint.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

DistanceConstraint.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

Inversion.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

Inversion.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

Nonbonded.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

Nonbonded.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

Params.cpp

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

Params.h

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

PositionConstraint.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

PositionConstraint.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

test_list.py

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

testUFFForceField.cpp

- Forcefield tests now use RDKit::feq() instead of RDKit::round()

2015-05-09 18:33:03 +01:00

TorsionAngle.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

TorsionAngle.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

TorsionConstraint.cpp

Switches to URANGE_CHECK when appropriate

2015-10-18 21:14:02 -04:00

TorsionConstraint.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00