rdkit

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Brian Kelley 7488840ac4 Fix/urange check (#1506 )

* Fixes atom documentation

* Fixes #1461

This is a complicated one.  Basically URANGE_CHECK when
used on unsigned integers has a problem when the size of
the range it’s checking is 0.  The standard operations is
to check

URANGE(num, size-1)

Which (for unsigned integers) obviously rolls over.

This fixes all usage cases to be

URANGE(num+1, size)

And fixes the bugs found.  (addBond and the mmff tests)

* Fixes #1461 - Updates URANGE_CHECK to be 0<=x<hi

2017-09-11 21:17:33 +02:00

Alignment

Issue1071/yapf (#1078 )

2016-09-23 04:58:46 +02:00

EigenSolvers

Issue1071/yapf (#1078 )

2016-09-23 04:58:46 +02:00

Optimizer

Issue1071/yapf (#1078 )

2016-09-23 04:58:46 +02:00

CMakeLists.txt

merge in a set of changes from Riccardo V. to install .h files as well;