Change one gmx_mtop_t atom loop to C++
authorPaul Bauer <paul.bauer.q@gmail.com>
Tue, 15 Jan 2019 07:10:24 +0000 (08:10 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 18 Jan 2019 08:47:11 +0000 (09:47 +0100)
commit2045d9e0fab4c67b296c374391969c7a657b76e7
treeb4abc395bbfd1286a96b13141787a1bb6c3abbc5
parentf9c7a4ee48bf376e0be2526206ff389d88e8e011
Change one gmx_mtop_t atom loop to C++

Changed C style struct to C++ class.
Preparation for modernizing atoms datastructure.

Removed a useless gmxassert.h

Refs #2833

Change-Id: I22cfa27bfefc8469b4100a9fef8c11da4d304657
src/gromacs/fileio/groio.cpp
src/gromacs/gmxana/gmx_pme_error.cpp
src/gromacs/gmxpreprocess/gen_maxwell_velocities.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/listed-forces/orires.cpp
src/gromacs/mdlib/qmmm.cpp
src/gromacs/mdlib/shellfc.cpp
src/gromacs/mdlib/tgroup.cpp
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h