Make PBC type enumeration into PbcType enum class
authorArtem Zhmurov <zhmurov@gmail.com>
Wed, 20 Nov 2019 15:18:56 +0000 (16:18 +0100)
committerArtem Zhmurov <zhmurov@gmail.com>
Thu, 9 Jan 2020 19:55:21 +0000 (20:55 +0100)
commit97c751f1945702316b6342f4054da20dd5239872
treeda8765c2e57830ff33197c3da01fab960d3522f6
parent9e6f6d04beb011ce2cfbf1cf5814cb781a572d95
Make PBC type enumeration into PbcType enum class

The type of periodic boundary conditions is defined by untyped
enumeration and passed around as an integer, which is not type
safe. This change makes the enum class that defines the type of
the PBC and can be safely passed as a function argument.

Change-Id: Ia1f709a90472a95ad76af92c41df570ba7c28255
173 files changed:
src/gromacs/applied_forces/densityfitting.cpp
src/gromacs/applied_forces/densityfitting.h
src/gromacs/applied_forces/densityfittingforceprovider.cpp
src/gromacs/applied_forces/densityfittingforceprovider.h
src/gromacs/awh/awh.cpp
src/gromacs/awh/awh.h
src/gromacs/awh/read_params.cpp
src/gromacs/awh/read_params.h
src/gromacs/coordinateio/coordinatefile.cpp
src/gromacs/domdec/box.cpp
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_setup.cpp
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/domdec/dump.cpp
src/gromacs/domdec/mdsetup.cpp
src/gromacs/essentialdynamics/edsam.cpp
src/gromacs/ewald/pme.cpp
src/gromacs/ewald/pme_load_balancing.cpp
src/gromacs/ewald/tests/pmetestcommon.cpp
src/gromacs/fileio/confio.cpp
src/gromacs/fileio/confio.h
src/gromacs/fileio/pdbio.cpp
src/gromacs/fileio/pdbio.h
src/gromacs/fileio/tests/confio.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/fileio/tpxio.h
src/gromacs/fileio/trxio.cpp
src/gromacs/fileio/trxio.h
src/gromacs/gmxana/anadih.cpp
src/gromacs/gmxana/gmx_anaeig.cpp
src/gromacs/gmxana/gmx_bundle.cpp
src/gromacs/gmxana/gmx_chi.cpp
src/gromacs/gmxana/gmx_cluster.cpp
src/gromacs/gmxana/gmx_clustsize.cpp
src/gromacs/gmxana/gmx_confrms.cpp
src/gromacs/gmxana/gmx_covar.cpp
src/gromacs/gmxana/gmx_current.cpp
src/gromacs/gmxana/gmx_density.cpp
src/gromacs/gmxana/gmx_densmap.cpp
src/gromacs/gmxana/gmx_densorder.cpp
src/gromacs/gmxana/gmx_dipoles.cpp
src/gromacs/gmxana/gmx_disre.cpp
src/gromacs/gmxana/gmx_do_dssp.cpp
src/gromacs/gmxana/gmx_dos.cpp
src/gromacs/gmxana/gmx_dyecoupl.cpp
src/gromacs/gmxana/gmx_filter.cpp
src/gromacs/gmxana/gmx_gyrate.cpp
src/gromacs/gmxana/gmx_h2order.cpp
src/gromacs/gmxana/gmx_hbond.cpp
src/gromacs/gmxana/gmx_helix.cpp
src/gromacs/gmxana/gmx_helixorient.cpp
src/gromacs/gmxana/gmx_hydorder.cpp
src/gromacs/gmxana/gmx_make_edi.cpp
src/gromacs/gmxana/gmx_mdmat.cpp
src/gromacs/gmxana/gmx_mindist.cpp
src/gromacs/gmxana/gmx_msd.cpp
src/gromacs/gmxana/gmx_nmens.cpp
src/gromacs/gmxana/gmx_nmtraj.cpp
src/gromacs/gmxana/gmx_order.cpp
src/gromacs/gmxana/gmx_polystat.cpp
src/gromacs/gmxana/gmx_potential.cpp
src/gromacs/gmxana/gmx_principal.cpp
src/gromacs/gmxana/gmx_rms.cpp
src/gromacs/gmxana/gmx_rmsdist.cpp
src/gromacs/gmxana/gmx_rmsf.cpp
src/gromacs/gmxana/gmx_rotacf.cpp
src/gromacs/gmxana/gmx_rotmat.cpp
src/gromacs/gmxana/gmx_saltbr.cpp
src/gromacs/gmxana/gmx_sans.cpp
src/gromacs/gmxana/gmx_sorient.cpp
src/gromacs/gmxana/gmx_spatial.cpp
src/gromacs/gmxana/gmx_spol.cpp
src/gromacs/gmxana/gmx_tcaf.cpp
src/gromacs/gmxana/gmx_traj.cpp
src/gromacs/gmxana/gmx_trjorder.cpp
src/gromacs/gmxana/gmx_vanhove.cpp
src/gromacs/gmxana/gmx_velacc.cpp
src/gromacs/gmxana/nrama.cpp
src/gromacs/gmxana/nrama.h
src/gromacs/gmxana/sfactor.cpp
src/gromacs/gmxpreprocess/editconf.cpp
src/gromacs/gmxpreprocess/genconf.cpp
src/gromacs/gmxpreprocess/genion.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/insert_molecules.cpp
src/gromacs/gmxpreprocess/pdb2gmx.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/gmxpreprocess/readpull.cpp
src/gromacs/gmxpreprocess/solvate.cpp
src/gromacs/gmxpreprocess/x2top.cpp
src/gromacs/imd/imd.cpp
src/gromacs/listed_forces/gpubondedkernels.cu
src/gromacs/listed_forces/listed_forces.cpp
src/gromacs/listed_forces/pairs.cpp
src/gromacs/listed_forces/position_restraints.cpp
src/gromacs/listed_forces/tests/bonded.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/coupling.cpp
src/gromacs/mdlib/force.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/membed.cpp
src/gromacs/mdlib/nsgrid.cpp
src/gromacs/mdlib/qmmm.cpp
src/gromacs/mdlib/settle.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/tests/constr.cpp
src/gromacs/mdlib/tests/settle.cpp
src/gromacs/mdlib/trajectory_writing.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdlib/vcm.cpp
src/gromacs/mdlib/vsite.cpp
src/gromacs/mdlib/vsite.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrun/shellfc.cpp
src/gromacs/mdrun/tpi.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/mdtypes/inputrec.cpp
src/gromacs/mdtypes/inputrec.h
src/gromacs/modularsimulator/statepropagatordata.cpp
src/gromacs/modularsimulator/statepropagatordata.h
src/gromacs/nbnxm/benchmark/bench_setup.cpp
src/gromacs/nbnxm/benchmark/bench_system.cpp
src/gromacs/nbnxm/gridset.cpp
src/gromacs/nbnxm/gridset.h
src/gromacs/nbnxm/nbnxm_setup.cpp
src/gromacs/nbnxm/pairlist.cpp
src/gromacs/nbnxm/pairlist_tuning.cpp
src/gromacs/nbnxm/pairsearch.cpp
src/gromacs/nbnxm/pairsearch.h
src/gromacs/pbcutil/mshift.cpp
src/gromacs/pbcutil/mshift.h
src/gromacs/pbcutil/pbc.cpp
src/gromacs/pbcutil/pbc.h
src/gromacs/pbcutil/pbc_simd.cpp
src/gromacs/pbcutil/pbcmethods.cpp
src/gromacs/pbcutil/pbcmethods.h
src/gromacs/pbcutil/rmpbc.cpp
src/gromacs/pbcutil/rmpbc.h
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull_internal.h
src/gromacs/pulling/pull_rotation.cpp
src/gromacs/pulling/pullutil.cpp
src/gromacs/pulling/tests/pull.cpp
src/gromacs/restraint/restraintmdmodule.cpp
src/gromacs/selection/nbsearch.cpp
src/gromacs/selection/tests/nbsearch.cpp
src/gromacs/selection/tests/toputils.cpp
src/gromacs/swap/swapcoords.cpp
src/gromacs/tools/check.cpp
src/gromacs/tools/make_ndx.cpp
src/gromacs/tools/trjconv.cpp
src/gromacs/trajectory/trajectoryframe.cpp
src/gromacs/trajectory/trajectoryframe.h
src/gromacs/trajectoryanalysis/cmdlinerunner.cpp
src/gromacs/trajectoryanalysis/modules/rdf.cpp
src/gromacs/trajectoryanalysis/modules/sasa.cpp
src/gromacs/trajectoryanalysis/runnercommon.cpp
src/gromacs/trajectoryanalysis/tests/surfacearea.cpp
src/gromacs/trajectoryanalysis/tests/topologyinformation.cpp
src/gromacs/trajectoryanalysis/topologyinformation.cpp
src/gromacs/trajectoryanalysis/topologyinformation.h
src/gromacs/utility/mdmodulenotification.h
src/programs/view/manager.cpp
src/programs/view/manager.h
src/programs/view/nmol.cpp
src/programs/view/nmol.h
src/programs/view/view.cpp