BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/applied

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Paul Bauer <paul.bauer.q@gmail.com>
	Wed, 10 Mar 2021 20:06:31 +0000 (20:06 +0000)
committer	Joe Jordan <ejjordan12@gmail.com>
	Wed, 10 Mar 2021 20:06:31 +0000 (20:06 +0000)
commit	d4610e91e7815756f728e68785b58b884aead153
tree	f4d45287fecb3e174e607a95e75287d2842b956d	tree \| snapshot
parent	e2a2fe80bd8e1af8e8d1385017fe4f96d77de2ce	commit \| diff

Make AWH parameters proper C++

All structs have been converted to classes with RAII constructors.
Parameter objects can only be constructed from input data or
serializers.

Tests are adapted to use the new constructors, this means some code got
a bit ugly there.

This change is only refactoring, plus adding tests for the
serialization.

33 files changed:

src/gromacs/applied_forces/awh/awh.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/awh.h		diff \| blob \| history
src/gromacs/applied_forces/awh/bias.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/bias.h		diff \| blob \| history
src/gromacs/applied_forces/awh/biasgrid.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/biasgrid.h		diff \| blob \| history
src/gromacs/applied_forces/awh/biasparams.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/biasparams.h		diff \| blob \| history
src/gromacs/applied_forces/awh/biassharing.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/biassharing.h		diff \| blob \| history
src/gromacs/applied_forces/awh/biasstate.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/biasstate.h		diff \| blob \| history
src/gromacs/applied_forces/awh/coordstate.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/coordstate.h		diff \| blob \| history
src/gromacs/applied_forces/awh/histogramsize.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/histogramsize.h		diff \| blob \| history
src/gromacs/applied_forces/awh/read_params.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/read_params.h		diff \| blob \| history
src/gromacs/applied_forces/awh/tests/CMakeLists.txt		diff \| blob \| history
src/gromacs/applied_forces/awh/tests/awh_setup.cpp	[new file with mode: 0644]	blob
src/gromacs/applied_forces/awh/tests/awh_setup.h	[new file with mode: 0644]	blob
src/gromacs/applied_forces/awh/tests/bias.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/tests/biasgrid.cpp		diff \| blob \| history
src/gromacs/applied_forces/awh/tests/biasstate.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_awh.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdtypes/awh_params.h		diff \| blob \| history
src/gromacs/mdtypes/inputrec.cpp		diff \| blob \| history
src/gromacs/mdtypes/inputrec.h		diff \| blob \| history

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