Make global topology const in ISimulator
authorPascal Merz <pascal.merz@me.com>
Fri, 3 Apr 2020 22:28:40 +0000 (16:28 -0600)
committerPascal Merz <pascal.merz@me.com>
Fri, 17 Apr 2020 15:46:44 +0000 (15:46 +0000)
commite8bf9d439a93408342387cbc9288cf1177d09637
tree911fdf0c38d00f630335631115df7f9aac31b3bd
parent24595dbb0f2390f4865b223dd37b3dc04eeafa81
Make global topology const in ISimulator

The global topology in constant in all simulator level functions
with the exception of the setup of MiMiC runs and reruns.
Follow-up work will move the topology-altering MiMiC setup out of
the simulator level functions. It is, however, worth to already
enforce the current state, avoiding subsequent changes to undermine
these efforts. This commit changes the pointer to the global
topology in ISimulator to be const, and casts the const-ness away
for the two known cases it needs to be non-const.

Refs #3467
src/gromacs/mdrun/isimulator.h
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/rerun.cpp