Refactor t_molinfo to MoleculeInformation class
authorPaul Bauer <paul.bauer.q@gmail.com>
Wed, 13 Feb 2019 17:46:15 +0000 (18:46 +0100)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>
Thu, 21 Feb 2019 09:55:40 +0000 (10:55 +0100)
commit999ebbb1b20c2b57c21d4a4b78c5780403848afd
tree09864ad15b1f7b186d5f7dbbcac920f21a076adc
parent28d7dbb688b4c6d83696e9e795795a83dbc670d2
Refactor t_molinfo to MoleculeInformation class

Refs #2833

Change-Id: I66a6afc8ade636fb3002492e6c4e1d30ae51019a
12 files changed:
src/gromacs/gmxpreprocess/convparm.cpp
src/gromacs/gmxpreprocess/convparm.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/grompp_impl.h
src/gromacs/gmxpreprocess/tomorse.cpp
src/gromacs/gmxpreprocess/tomorse.h
src/gromacs/gmxpreprocess/topio.cpp
src/gromacs/gmxpreprocess/topio.h
src/gromacs/gmxpreprocess/toppush.cpp
src/gromacs/gmxpreprocess/toppush.h
src/gromacs/gmxpreprocess/toputil.cpp
src/gromacs/gmxpreprocess/toputil.h