ptosco ec8eb5a1bf - Changed all occurrences of RDKit::PI into M_PI ...

- added #ifdef M_PI (...) #endif in all relevant places
- made length() and sqLength() method consistent
  with respect to usage of pow(x, 2) vs x*x in
  Code/Geometry/point.h
- removed gzip-related boost.iostreams dependency and
  replaced with portable "cmake -E tar xzf" command
  in Code/ForceField/MMFF/CMakeLists.txt

2013-09-20 17:45:41 +02:00

..

AngleBend.cpp

add changes from sf.net 290:

2013-03-26 04:26:55 +00:00

AngleBend.h

update copyright statements

2010-09-26 17:04:37 +00:00

BondStretch.cpp

add changes from sf.net 290:

2013-03-26 04:26:55 +00:00

BondStretch.h

update copyright statements

2010-09-26 17:04:37 +00:00

CMakeLists.txt

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

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

Contribs.h

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

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

DistanceConstraint.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

DistanceConstraint.h

update copyright statements

2010-09-26 17:04:37 +00:00

Inversion.cpp

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

Inversion.h

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

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

Nonbonded.cpp

add changes from sf.net 290:

2013-03-26 04:26:55 +00:00

Nonbonded.h

update copyright statements

2010-09-26 17:04:37 +00:00

Params.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

Params.h

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

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

Created a new MMFF branch. I moved some files/folders from

2013-08-18 09:11:29 +02:00

TorsionAngle.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

TorsionAngle.h

update copyright statements

2010-09-26 17:04:37 +00:00