Move density fitting checkpointing into state
commit64bee06aaf3fd64a8259e026ec14bf6d46df096a
authorChristian Blau <cblau.mail@gmail.com>
Mon, 10 Aug 2020 10:52:11 +0000 (10 10:52 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Mon, 10 Aug 2020 10:52:11 +0000 (10 10:52 +0000)
treed38dbc22d485a929e030b50152ffce82bcbecf64
parent8b8c7270ac6217db0e7ff9eb80ad86b5bbed98d5
Move density fitting checkpointing into state

The density fitting state and the data to checkpoint are one and the
same and should be treated in the same place. Moving the checkpointing
infrastructure for density fitting code into the state and closer to the
data that is to be checkpointed makes it easier to ensure that all
necessary data is writtten to a checkpoint file.

Introduced variable names to make sure that reading and writing from the
key-value-tree is symmetric and does not include typos.

Added read/write functions in checkpoint.h to simplify checkpoint
writing for this and other modules.

Change-Id: Ie7fa5e22333251db9050bb4491e61681651aa5c2
src/gromacs/applied_forces/densityfitting/densityfitting.cpp
src/gromacs/applied_forces/densityfitting/densityfitting.h
src/gromacs/applied_forces/densityfitting/densityfittingforceprovider.cpp
src/gromacs/applied_forces/densityfitting/densityfittingforceprovider.h
src/gromacs/applied_forces/tests/CMakeLists.txt
src/gromacs/applied_forces/tests/densityfittingforceprovider.cpp [new file with mode: 0644]
src/gromacs/fileio/checkpoint.cpp
src/gromacs/fileio/checkpoint.h
src/gromacs/fileio/tests/checkpoint.cpp [new file with mode: 0644]