Coordinate transformation on single RVecs
authorChristian Blau <cblau@gwdg.de>
Mon, 17 Feb 2020 15:22:36 +0000 (16:22 +0100)
committerJoe Jordan <ejjordan12@gmail.com>
Thu, 2 Jul 2020 10:58:16 +0000 (10:58 +0000)
commit6cca533a7d6c3ac5fb41d2e093c70a12bb3d8d41
tree22755d50e946d52ca3b9dc3d09ec16a8eac3dda3
parent0c80c4068399722839bb2e214112b68a5a86d588
Coordinate transformation on single RVecs

So far, coordinate transforamtions of TranslateAndScale and Scale
classes could only performed on ArrayRefs. This meant that
transformations of single RVecs had to be done by first constructing an
ArrayRef on a single RVec x with the unintuitive and cumbersome
transform({&x,&x+1}).

Now this call is reduced to transform(&x) and respective calls.

Change-Id: I0d1f9d2f5ba90a46b1afc9b617af606995e0df59
src/gromacs/applied_forces/densityfittingforceprovider.cpp
src/gromacs/math/coordinatetransformation.cpp
src/gromacs/math/coordinatetransformation.h
src/gromacs/math/tests/coordinatetransformation.cpp