From: Teemu Murtola Date: Tue, 15 Apr 2014 04:07:31 +0000 (+0300) Subject: Move xvgr.* to fileio/ X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=0d0e128c118778e25f7e7c76eaf9a9be80ec22b1;p=alexxy%2Fgromacs.git Move xvgr.* to fileio/ Part of #1415 Change-Id: Ib3d78bce62a4c03c4d72001164921edd556657a2 --- diff --git a/src/contrib/do_multiprot.c b/src/contrib/do_multiprot.c index 2a06a1f809..e041d00443 100644 --- a/src/contrib/do_multiprot.c +++ b/src/contrib/do_multiprot.c @@ -47,7 +47,7 @@ #include "copyrite.h" #include "gromacs/fileio/pdbio.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/matio.h" #include "index.h" #include "gstat.h" diff --git a/src/contrib/do_shift.c b/src/contrib/do_shift.c index 383a0dea12..0f6b3c4c74 100644 --- a/src/contrib/do_shift.c +++ b/src/contrib/do_shift.c @@ -47,7 +47,7 @@ #include "copyrite.h" #include "gromacs/fileio/confio.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gstat.h" #include "index.h" #include "gromacs/fileio/pdbio.h" diff --git a/src/contrib/ehanal.c b/src/contrib/ehanal.c index c1e340d258..95f4ab9a0d 100644 --- a/src/contrib/ehanal.c +++ b/src/contrib/ehanal.c @@ -47,7 +47,7 @@ #include "gromacs/fileio/pdbio.h" #include "gromacs/utility/futil.h" #include "physics.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "vec.h" #include "names.h" #include "ehdata.h" diff --git a/src/contrib/pmetest.c b/src/contrib/pmetest.c index bc46738efe..a5e9f80f0d 100644 --- a/src/contrib/pmetest.c +++ b/src/contrib/pmetest.c @@ -53,7 +53,7 @@ #include "rmpbc.h" #include "pme.h" #include "force.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "pbc.h" #include "gromacs/utility/gmxmpi.h" diff --git a/src/contrib/test.c b/src/contrib/test.c index 2a06da7c89..7f9583afb0 100644 --- a/src/contrib/test.c +++ b/src/contrib/test.c @@ -42,7 +42,7 @@ #include "gromacs/commandline/pargs.h" #include "copyrite.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/fileio/pdbio.h" #include "macros.h" diff --git a/src/contrib/testfft.c b/src/contrib/testfft.c index b97146db75..1f2f4936ac 100644 --- a/src/contrib/testfft.c +++ b/src/contrib/testfft.c @@ -37,7 +37,7 @@ #include "typedefs.h" #include "macros.h" #include "gromacs/utility/smalloc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "complex.h" #include "fftgrid.h" #include "mdrun.h" diff --git a/src/contrib/timefft.c b/src/contrib/timefft.c index 017604b615..55fd5fb394 100644 --- a/src/contrib/timefft.c +++ b/src/contrib/timefft.c @@ -39,7 +39,7 @@ #include "typedefs.h" #include "macros.h" #include "gromacs/utility/smalloc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "copyrite.h" #include "mdrun.h" #include "main.h" diff --git a/src/gromacs/analysisdata/modules/plot.cpp b/src/gromacs/analysisdata/modules/plot.cpp index ca66a1fdf7..7b0f0b20e3 100644 --- a/src/gromacs/analysisdata/modules/plot.cpp +++ b/src/gromacs/analysisdata/modules/plot.cpp @@ -51,10 +51,10 @@ #include "gromacs/legacyheaders/oenv.h" #include "gromacs/legacyheaders/vec.h" -#include "gromacs/legacyheaders/xvgr.h" #include "gromacs/analysisdata/dataframe.h" #include "gromacs/fileio/gmxfio.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/options/basicoptions.h" #include "gromacs/options/options.h" #include "gromacs/options/timeunitmanager.h" diff --git a/src/gromacs/essentialdynamics/edsam.c b/src/gromacs/essentialdynamics/edsam.c index 8c0443dc9d..028e9f9636 100644 --- a/src/gromacs/essentialdynamics/edsam.c +++ b/src/gromacs/essentialdynamics/edsam.c @@ -57,7 +57,7 @@ #include "mtop_util.h" #include "gromacs/essentialdynamics/edsam.h" #include "gromacs/fileio/gmxfio.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/mdlib/groupcoord.h" #include "gromacs/linearalgebra/nrjac.h" diff --git a/src/gromacs/fileio/CMakeLists.txt b/src/gromacs/fileio/CMakeLists.txt index 67ce9f9b87..21d6422150 100644 --- a/src/gromacs/fileio/CMakeLists.txt +++ b/src/gromacs/fileio/CMakeLists.txt @@ -57,6 +57,7 @@ set(FILEIO_PUBLIC_HEADERS trxio.h xdr_datatype.h xtcio.h + xvgr.h ) gmx_install_headers(fileio ${FILEIO_PUBLIC_HEADERS}) diff --git a/src/gromacs/fileio/mdoutf.c b/src/gromacs/fileio/mdoutf.c index a8c09547f4..bb820b6290 100644 --- a/src/gromacs/fileio/mdoutf.c +++ b/src/gromacs/fileio/mdoutf.c @@ -34,7 +34,6 @@ */ #include "mdoutf.h" -#include "gromacs/legacyheaders/xvgr.h" #include "gromacs/legacyheaders/mdrun.h" #include "gromacs/legacyheaders/types/commrec.h" #include "gromacs/legacyheaders/mvdata.h" @@ -46,6 +45,7 @@ #include "checkpoint.h" #include "copyrite.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" diff --git a/src/gromacs/gmxlib/xvgr.cpp b/src/gromacs/fileio/xvgr.cpp similarity index 99% rename from src/gromacs/gmxlib/xvgr.cpp rename to src/gromacs/fileio/xvgr.cpp index 5fcd5f89ab..37836b6821 100644 --- a/src/gromacs/gmxlib/xvgr.cpp +++ b/src/gromacs/fileio/xvgr.cpp @@ -34,6 +34,8 @@ * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ +#include "gromacs/fileio/xvgr.h" + #ifdef HAVE_CONFIG_H #include #endif @@ -46,18 +48,17 @@ #include #endif -#include "gromacs/utility/cstringutil.h" -#include "gromacs/utility/futil.h" -#include "copyrite.h" -#include "oenv.h" -#include "gromacs/utility/smalloc.h" -#include "xvgr.h" -#include "vec.h" -#include "gromacs/fileio/gmxfio.h" +#include "gromacs/legacyheaders/copyrite.h" +#include "gromacs/legacyheaders/oenv.h" +#include "gromacs/legacyheaders/vec.h" +#include "gromacs/fileio/gmxfio.h" +#include "gromacs/utility/cstringutil.h" #include "gromacs/utility/exceptions.h" #include "gromacs/utility/fatalerror.h" +#include "gromacs/utility/futil.h" #include "gromacs/utility/programcontext.h" +#include "gromacs/utility/smalloc.h" gmx_bool output_env_get_print_xvgr_codes(const output_env_t oenv) { diff --git a/src/gromacs/legacyheaders/xvgr.h b/src/gromacs/fileio/xvgr.h similarity index 98% rename from src/gromacs/legacyheaders/xvgr.h rename to src/gromacs/fileio/xvgr.h index 8117af83e4..d7fd738689 100644 --- a/src/gromacs/legacyheaders/xvgr.h +++ b/src/gromacs/fileio/xvgr.h @@ -34,14 +34,13 @@ * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ - -#ifndef _xvgr_h -#define _xvgr_h +#ifndef GMX_FILEIO_XVGR_H +#define GMX_FILEIO_XVGR_H #include -#include "types/oenv.h" -#include "types/simple.h" +#include "../legacyheaders/types/oenv.h" +#include "../legacyheaders/types/simple.h" #include "../utility/basedefinitions.h" #ifdef __cplusplus @@ -193,4 +192,4 @@ real **read_xvg_time(const char *fn, } #endif -#endif /* _xvgr_h */ +#endif diff --git a/src/gromacs/gmxana/anadih.c b/src/gromacs/gmxana/anadih.c index a6e926d3c2..78db627e41 100644 --- a/src/gromacs/gmxana/anadih.c +++ b/src/gromacs/gmxana/anadih.c @@ -46,7 +46,7 @@ #include "macros.h" #include "txtdump.h" #include "bondf.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "typedefs.h" #include "vec.h" #include "gstat.h" diff --git a/src/gromacs/gmxana/autocorr.c b/src/gromacs/gmxana/autocorr.c index 76b9a20f58..7645f15d98 100644 --- a/src/gromacs/gmxana/autocorr.c +++ b/src/gromacs/gmxana/autocorr.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "physics.h" #include "gromacs/utility/smalloc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/futil.h" #include "gstat.h" #include "names.h" diff --git a/src/gromacs/gmxana/cmat.c b/src/gromacs/gmxana/cmat.c index d09ee283f2..9c2bb517c6 100644 --- a/src/gromacs/gmxana/cmat.c +++ b/src/gromacs/gmxana/cmat.c @@ -42,7 +42,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/matio.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/expfit.c b/src/gromacs/gmxana/expfit.c index 7a38b4c6af..80ba9ee55b 100644 --- a/src/gromacs/gmxana/expfit.c +++ b/src/gromacs/gmxana/expfit.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/futil.h" #include "gstat.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_anadock.c b/src/gromacs/gmxana/gmx_anadock.c index 7c0da6dfe0..dc7304ac88 100644 --- a/src/gromacs/gmxana/gmx_anadock.c +++ b/src/gromacs/gmxana/gmx_anadock.c @@ -51,7 +51,7 @@ #include "gromacs/statistics/statistics.h" #include "gromacs/commandline/pargs.h" #include "typedefs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "macros.h" static const char *etitles[] = { "E-docked", "Free Energy" }; diff --git a/src/gromacs/gmxana/gmx_anaeig.c b/src/gromacs/gmxana/gmx_anaeig.c index 723c19b42d..b47274b950 100644 --- a/src/gromacs/gmxana/gmx_anaeig.c +++ b/src/gromacs/gmxana/gmx_anaeig.c @@ -57,7 +57,7 @@ #include "gromacs/fileio/trxio.h" #include "gromacs/fileio/matio.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "rmpbc.h" #include "txtdump.h" diff --git a/src/gromacs/gmxana/gmx_analyze.c b/src/gromacs/gmxana/gmx_analyze.c index f88367991c..fd6a7548e9 100644 --- a/src/gromacs/gmxana/gmx_analyze.c +++ b/src/gromacs/gmxana/gmx_analyze.c @@ -54,7 +54,7 @@ #include "txtdump.h" #include "gstat.h" #include "gromacs/statistics/statistics.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gmx_ana.h" #include "geminate.h" diff --git a/src/gromacs/gmxana/gmx_angle.c b/src/gromacs/gmxana/gmx_angle.c index ca0cd6c2fd..3354d787df 100644 --- a/src/gromacs/gmxana/gmx_angle.c +++ b/src/gromacs/gmxana/gmx_angle.c @@ -50,7 +50,7 @@ #include "index.h" #include "macros.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gstat.h" #include "gromacs/fileio/trnio.h" diff --git a/src/gromacs/gmxana/gmx_bar.c b/src/gromacs/gmxana/gmx_bar.c index f3e839cad9..1888159574 100644 --- a/src/gromacs/gmxana/gmx_bar.c +++ b/src/gromacs/gmxana/gmx_bar.c @@ -50,7 +50,7 @@ #include "gromacs/fileio/enxio.h" #include "physics.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gmx_ana.h" #include "gromacs/math/utilities.h" diff --git a/src/gromacs/gmxana/gmx_bundle.c b/src/gromacs/gmxana/gmx_bundle.c index aa3c985755..3c40ffd893 100644 --- a/src/gromacs/gmxana/gmx_bundle.c +++ b/src/gromacs/gmxana/gmx_bundle.c @@ -47,7 +47,7 @@ #include "vec.h" #include "gromacs/utility/futil.h" #include "index.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "rmpbc.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_chi.c b/src/gromacs/gmxana/gmx_chi.c index e878d8342a..cb812165a4 100644 --- a/src/gromacs/gmxana/gmx_chi.c +++ b/src/gromacs/gmxana/gmx_chi.c @@ -57,7 +57,7 @@ #include "txtdump.h" #include "typedefs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/fileio/matio.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_cluster.c b/src/gromacs/gmxana/gmx_cluster.c index 86a0cdc21b..98bf273f15 100644 --- a/src/gromacs/gmxana/gmx_cluster.c +++ b/src/gromacs/gmxana/gmx_cluster.c @@ -55,7 +55,7 @@ #include "gromacs/random/random.h" #include "pbc.h" #include "rmpbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/futil.h" #include "gromacs/fileio/matio.h" #include "cmat.h" diff --git a/src/gromacs/gmxana/gmx_clustsize.c b/src/gromacs/gmxana/gmx_clustsize.c index 6c26fc03b8..93a09cc444 100644 --- a/src/gromacs/gmxana/gmx_clustsize.c +++ b/src/gromacs/gmxana/gmx_clustsize.c @@ -46,7 +46,7 @@ #include "pbc.h" #include "rmpbc.h" #include "gromacs/commandline/pargs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/futil.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_covar.c b/src/gromacs/gmxana/gmx_covar.c index a8b862514f..9e4b5fc1eb 100644 --- a/src/gromacs/gmxana/gmx_covar.c +++ b/src/gromacs/gmxana/gmx_covar.c @@ -57,7 +57,7 @@ #include "gromacs/fileio/confio.h" #include "gromacs/fileio/trnio.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "rmpbc.h" #include "txtdump.h" #include "gromacs/fileio/matio.h" diff --git a/src/gromacs/gmxana/gmx_current.c b/src/gromacs/gmxana/gmx_current.c index d6531e04a2..8381843303 100644 --- a/src/gromacs/gmxana/gmx_current.c +++ b/src/gromacs/gmxana/gmx_current.c @@ -44,7 +44,7 @@ #include "vec.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "rmpbc.h" #include "pbc.h" #include "physics.h" diff --git a/src/gromacs/gmxana/gmx_density.c b/src/gromacs/gmxana/gmx_density.c index 02202f8e1f..2c7b839e38 100644 --- a/src/gromacs/gmxana/gmx_density.c +++ b/src/gromacs/gmxana/gmx_density.c @@ -49,7 +49,7 @@ #include "macros.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/gmx_densorder.cpp b/src/gromacs/gmxana/gmx_densorder.cpp index 2f68a4a15e..13af8726ac 100644 --- a/src/gromacs/gmxana/gmx_densorder.cpp +++ b/src/gromacs/gmxana/gmx_densorder.cpp @@ -46,7 +46,7 @@ #include "macros.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "pbc.h" #include "gromacs/utility/futil.h" #include "gromacs/commandline/pargs.h" diff --git a/src/gromacs/gmxana/gmx_dielectric.c b/src/gromacs/gmxana/gmx_dielectric.c index f88fb68d12..79abfc3aed 100644 --- a/src/gromacs/gmxana/gmx_dielectric.c +++ b/src/gromacs/gmxana/gmx_dielectric.c @@ -47,7 +47,7 @@ #include "gstat.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "correl.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_dipoles.cpp b/src/gromacs/gmxana/gmx_dipoles.cpp index 4670490196..0b4b1c7fc4 100644 --- a/src/gromacs/gmxana/gmx_dipoles.cpp +++ b/src/gromacs/gmxana/gmx_dipoles.cpp @@ -49,7 +49,7 @@ #include "pbc.h" #include "bondf.h" #include "gromacs/utility/futil.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "txtdump.h" #include "gromacs/statistics/statistics.h" diff --git a/src/gromacs/gmxana/gmx_disre.c b/src/gromacs/gmxana/gmx_disre.c index 47d67887cc..85623881a3 100644 --- a/src/gromacs/gmxana/gmx_disre.c +++ b/src/gromacs/gmxana/gmx_disre.c @@ -45,7 +45,7 @@ #include "typedefs.h" #include "macros.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "vec.h" #include "gromacs/fileio/confio.h" diff --git a/src/gromacs/gmxana/gmx_do_dssp.c b/src/gromacs/gmxana/gmx_do_dssp.c index 17340d6962..d3fdbb9952 100644 --- a/src/gromacs/gmxana/gmx_do_dssp.c +++ b/src/gromacs/gmxana/gmx_do_dssp.c @@ -49,7 +49,7 @@ #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/pdbio.h" #include "gromacs/utility/fatalerror.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/matio.h" #include "index.h" #include "gstat.h" diff --git a/src/gromacs/gmxana/gmx_dos.c b/src/gromacs/gmxana/gmx_dos.c index c6e1941e2f..31ce324c77 100644 --- a/src/gromacs/gmxana/gmx_dos.c +++ b/src/gromacs/gmxana/gmx_dos.c @@ -55,7 +55,7 @@ #include "txtdump.h" #include "typedefs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "correl.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_dyecoupl.c b/src/gromacs/gmxana/gmx_dyecoupl.c index 30d2ba1943..ee42cbe9a9 100644 --- a/src/gromacs/gmxana/gmx_dyecoupl.c +++ b/src/gromacs/gmxana/gmx_dyecoupl.c @@ -39,7 +39,7 @@ #include "gromacs/utility/smalloc.h" #include "gromacs/commandline/pargs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/trxio.h" #include "gromacs/utility/fatalerror.h" diff --git a/src/gromacs/gmxana/gmx_enemat.c b/src/gromacs/gmxana/gmx_enemat.c index f09f1b4897..694c1418f4 100644 --- a/src/gromacs/gmxana/gmx_enemat.c +++ b/src/gromacs/gmxana/gmx_enemat.c @@ -49,7 +49,7 @@ #include "gromacs/commandline/pargs.h" #include "names.h" #include "macros.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gstat.h" #include "physics.h" #include "gromacs/fileio/matio.h" diff --git a/src/gromacs/gmxana/gmx_energy.c b/src/gromacs/gmxana/gmx_energy.c index ebacc2c229..d7ad5505a9 100644 --- a/src/gromacs/gmxana/gmx_energy.c +++ b/src/gromacs/gmxana/gmx_energy.c @@ -52,7 +52,7 @@ #include "names.h" #include "copyrite.h" #include "macros.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gstat.h" #include "physics.h" #include "gromacs/fileio/tpxio.h" diff --git a/src/gromacs/gmxana/gmx_gyrate.c b/src/gromacs/gmxana/gmx_gyrate.c index 647cd7bc6e..573a33c096 100644 --- a/src/gromacs/gmxana/gmx_gyrate.c +++ b/src/gromacs/gmxana/gmx_gyrate.c @@ -50,7 +50,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "princ.h" #include "rmpbc.h" diff --git a/src/gromacs/gmxana/gmx_h2order.c b/src/gromacs/gmxana/gmx_h2order.c index f6530dd138..b6a56a94bd 100644 --- a/src/gromacs/gmxana/gmx_h2order.c +++ b/src/gromacs/gmxana/gmx_h2order.c @@ -47,7 +47,7 @@ #include "princ.h" #include "rmpbc.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/gmx_hbond.c b/src/gromacs/gmxana/gmx_hbond.c index 928a29c09c..7a6ef9561f 100644 --- a/src/gromacs/gmxana/gmx_hbond.c +++ b/src/gromacs/gmxana/gmx_hbond.c @@ -50,7 +50,7 @@ #include "index.h" #include "gromacs/utility/smalloc.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gstat.h" #include "gromacs/utility/cstringutil.h" diff --git a/src/gromacs/gmxana/gmx_helix.c b/src/gromacs/gmxana/gmx_helix.c index c7f1aa1c2e..a5490e110b 100644 --- a/src/gromacs/gmxana/gmx_helix.c +++ b/src/gromacs/gmxana/gmx_helix.c @@ -59,7 +59,7 @@ #include "txtdump.h" #include "typedefs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_helixorient.c b/src/gromacs/gmxana/gmx_helixorient.c index c53e237908..f1b32bf0d7 100644 --- a/src/gromacs/gmxana/gmx_helixorient.c +++ b/src/gromacs/gmxana/gmx_helixorient.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/commandline/pargs.h" #include "vec.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_hydorder.c b/src/gromacs/gmxana/gmx_hydorder.c index 280ab28274..b2909d15d3 100644 --- a/src/gromacs/gmxana/gmx_hydorder.c +++ b/src/gromacs/gmxana/gmx_hydorder.c @@ -46,7 +46,7 @@ #include "macros.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "pbc.h" #include "gromacs/utility/futil.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_lie.c b/src/gromacs/gmxana/gmx_lie.c index 04e8420617..4e0c08bebd 100644 --- a/src/gromacs/gmxana/gmx_lie.c +++ b/src/gromacs/gmxana/gmx_lie.c @@ -52,7 +52,7 @@ #include "txtdump.h" #include "gromacs/fileio/enxio.h" #include "gstat.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gmx_ana.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_make_edi.c b/src/gromacs/gmxana/gmx_make_edi.c index fada6fb920..4d70280c4a 100644 --- a/src/gromacs/gmxana/gmx_make_edi.c +++ b/src/gromacs/gmxana/gmx_make_edi.c @@ -58,7 +58,7 @@ #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/matio.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "rmpbc.h" #include "txtdump.h" #include "eigio.h" diff --git a/src/gromacs/gmxana/gmx_mdmat.c b/src/gromacs/gmxana/gmx_mdmat.c index e1afd793f8..66bbbff6d1 100644 --- a/src/gromacs/gmxana/gmx_mdmat.c +++ b/src/gromacs/gmxana/gmx_mdmat.c @@ -50,7 +50,7 @@ #include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/matio.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "index.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_mindist.c b/src/gromacs/gmxana/gmx_mindist.c index d115781f81..f42e7934c7 100644 --- a/src/gromacs/gmxana/gmx_mindist.c +++ b/src/gromacs/gmxana/gmx_mindist.c @@ -46,7 +46,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/gmx_morph.c b/src/gromacs/gmxana/gmx_morph.c index 7bc3adf779..6ad9c8fe79 100644 --- a/src/gromacs/gmxana/gmx_morph.c +++ b/src/gromacs/gmxana/gmx_morph.c @@ -42,7 +42,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "gromacs/fileio/confio.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "index.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_msd.c b/src/gromacs/gmxana/gmx_msd.c index 6613988806..9570957eba 100644 --- a/src/gromacs/gmxana/gmx_msd.c +++ b/src/gromacs/gmxana/gmx_msd.c @@ -48,7 +48,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "typedefs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gstat.h" #include "gromacs/statistics/statistics.h" diff --git a/src/gromacs/gmxana/gmx_nmeig.c b/src/gromacs/gmxana/gmx_nmeig.c index 2bda314dca..953e4eae5f 100644 --- a/src/gromacs/gmxana/gmx_nmeig.c +++ b/src/gromacs/gmxana/gmx_nmeig.c @@ -51,7 +51,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gstat.h" #include "txtdump.h" #include "eigio.h" diff --git a/src/gromacs/gmxana/gmx_order.c b/src/gromacs/gmxana/gmx_order.c index 729ac43c36..e081648e5a 100644 --- a/src/gromacs/gmxana/gmx_order.c +++ b/src/gromacs/gmxana/gmx_order.c @@ -46,7 +46,7 @@ #include "macros.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/gmx_polystat.c b/src/gromacs/gmxana/gmx_polystat.c index 12edbc8220..5e99951784 100644 --- a/src/gromacs/gmxana/gmx_polystat.c +++ b/src/gromacs/gmxana/gmx_polystat.c @@ -49,7 +49,7 @@ #include "vec.h" #include "index.h" #include "macros.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "rmpbc.h" #include "gromacs/fileio/tpxio.h" diff --git a/src/gromacs/gmxana/gmx_potential.c b/src/gromacs/gmxana/gmx_potential.c index 439dc1219e..dd480a914b 100644 --- a/src/gromacs/gmxana/gmx_potential.c +++ b/src/gromacs/gmxana/gmx_potential.c @@ -48,7 +48,7 @@ #include "princ.h" #include "rmpbc.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gromacs/utility/futil.h" diff --git a/src/gromacs/gmxana/gmx_rama.c b/src/gromacs/gmxana/gmx_rama.c index 7dc485b82e..1325803879 100644 --- a/src/gromacs/gmxana/gmx_rama.c +++ b/src/gromacs/gmxana/gmx_rama.c @@ -45,7 +45,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "physics.h" #include "pbc.h" diff --git a/src/gromacs/gmxana/gmx_rdf.c b/src/gromacs/gmxana/gmx_rdf.c index f3764f5f04..c611cc21d5 100644 --- a/src/gromacs/gmxana/gmx_rdf.c +++ b/src/gromacs/gmxana/gmx_rdf.c @@ -45,7 +45,7 @@ #include "macros.h" #include "vec.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/utility/futil.h" #include "gromacs/commandline/pargs.h" diff --git a/src/gromacs/gmxana/gmx_rms.c b/src/gromacs/gmxana/gmx_rms.c index 514367abcb..b37459d105 100644 --- a/src/gromacs/gmxana/gmx_rms.c +++ b/src/gromacs/gmxana/gmx_rms.c @@ -44,7 +44,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "typedefs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "copyrite.h" #include "gromacs/commandline/pargs.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_rmsdist.c b/src/gromacs/gmxana/gmx_rmsdist.c index bfbcdb6d8d..2b3ac376e6 100644 --- a/src/gromacs/gmxana/gmx_rmsdist.c +++ b/src/gromacs/gmxana/gmx_rmsdist.c @@ -52,7 +52,7 @@ #include "macros.h" #include "index.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/utility/futil.h" #include "gromacs/fileio/matio.h" diff --git a/src/gromacs/gmxana/gmx_rmsf.c b/src/gromacs/gmxana/gmx_rmsf.c index db770d65cb..88126529c1 100644 --- a/src/gromacs/gmxana/gmx_rmsf.c +++ b/src/gromacs/gmxana/gmx_rmsf.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "typedefs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/commandline/pargs.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_rotmat.c b/src/gromacs/gmxana/gmx_rotmat.c index 3491703c56..05f7e715ce 100644 --- a/src/gromacs/gmxana/gmx_rotmat.c +++ b/src/gromacs/gmxana/gmx_rotmat.c @@ -48,7 +48,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "rmpbc.h" #include "gromacs/fileio/tpxio.h" diff --git a/src/gromacs/gmxana/gmx_saltbr.c b/src/gromacs/gmxana/gmx_saltbr.c index 9e1eb0f165..e56491c626 100644 --- a/src/gromacs/gmxana/gmx_saltbr.c +++ b/src/gromacs/gmxana/gmx_saltbr.c @@ -50,7 +50,7 @@ #include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gmx_ana.h" #include "gromacs/utility/fatalerror.h" diff --git a/src/gromacs/gmxana/gmx_sans.c b/src/gromacs/gmxana/gmx_sans.c index f31d03d1ec..d0b64b1765 100644 --- a/src/gromacs/gmxana/gmx_sans.c +++ b/src/gromacs/gmxana/gmx_sans.c @@ -42,7 +42,7 @@ #include "macros.h" #include "vec.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "copyrite.h" #include "gromacs/commandline/pargs.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_sham.c b/src/gromacs/gmxana/gmx_sham.c index af6a25c534..4e09891748 100644 --- a/src/gromacs/gmxana/gmx_sham.c +++ b/src/gromacs/gmxana/gmx_sham.c @@ -52,7 +52,7 @@ #include "readinp.h" #include "txtdump.h" #include "gstat.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "physics.h" #include "gromacs/fileio/pdbio.h" #include "gromacs/fileio/matio.h" diff --git a/src/gromacs/gmxana/gmx_sigeps.c b/src/gromacs/gmxana/gmx_sigeps.c index cb91602246..d6fe0b7187 100644 --- a/src/gromacs/gmxana/gmx_sigeps.c +++ b/src/gromacs/gmxana/gmx_sigeps.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "gromacs/commandline/pargs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/fileio/pdbio.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_sorient.c b/src/gromacs/gmxana/gmx_sorient.c index c894ef63d6..ab037919d4 100644 --- a/src/gromacs/gmxana/gmx_sorient.c +++ b/src/gromacs/gmxana/gmx_sorient.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_spol.c b/src/gromacs/gmxana/gmx_spol.c index cca86a81e7..d2277e5662 100644 --- a/src/gromacs/gmxana/gmx_spol.c +++ b/src/gromacs/gmxana/gmx_spol.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "gstat.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_tcaf.c b/src/gromacs/gmxana/gmx_tcaf.c index 0b4f7ac139..6086a5b47d 100644 --- a/src/gromacs/gmxana/gmx_tcaf.c +++ b/src/gromacs/gmxana/gmx_tcaf.c @@ -55,7 +55,7 @@ #include "txtdump.h" #include "typedefs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "pbc.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_traj.c b/src/gromacs/gmxana/gmx_traj.c index 93d3d50ba5..814dda66ee 100644 --- a/src/gromacs/gmxana/gmx_traj.c +++ b/src/gromacs/gmxana/gmx_traj.c @@ -51,7 +51,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_trjcat.c b/src/gromacs/gmxana/gmx_trjcat.c index c97e975335..3cef9b92ea 100644 --- a/src/gromacs/gmxana/gmx_trjcat.c +++ b/src/gromacs/gmxana/gmx_trjcat.c @@ -61,7 +61,7 @@ #include "gromacs/fileio/xtcio.h" #include "rmpbc.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gmx_ana.h" #include "gromacs/utility/fatalerror.h" diff --git a/src/gromacs/gmxana/gmx_trjconv.c b/src/gromacs/gmxana/gmx_trjconv.c index ef34b90c37..041959c997 100644 --- a/src/gromacs/gmxana/gmx_trjconv.c +++ b/src/gromacs/gmxana/gmx_trjconv.c @@ -62,7 +62,7 @@ #include "rmpbc.h" #include "pbc.h" #include "viewit.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gmx_ana.h" #include "gromacs/math/do_fit.h" diff --git a/src/gromacs/gmxana/gmx_trjorder.c b/src/gromacs/gmxana/gmx_trjorder.c index c4c8b32410..98638cdd74 100644 --- a/src/gromacs/gmxana/gmx_trjorder.c +++ b/src/gromacs/gmxana/gmx_trjorder.c @@ -51,7 +51,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "mshift.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "princ.h" #include "rmpbc.h" #include "txtdump.h" diff --git a/src/gromacs/gmxana/gmx_vanhove.c b/src/gromacs/gmxana/gmx_vanhove.c index 9f24ce627a..eb13aa1883 100644 --- a/src/gromacs/gmxana/gmx_vanhove.c +++ b/src/gromacs/gmxana/gmx_vanhove.c @@ -49,7 +49,7 @@ #include "gromacs/utility/futil.h" #include "index.h" #include "typedefs.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gstat.h" #include "gromacs/fileio/tpxio.h" diff --git a/src/gromacs/gmxana/gmx_velacc.c b/src/gromacs/gmxana/gmx_velacc.c index 38bab83f7e..72440bbdb0 100644 --- a/src/gromacs/gmxana/gmx_velacc.c +++ b/src/gromacs/gmxana/gmx_velacc.c @@ -55,7 +55,7 @@ #include "txtdump.h" #include "typedefs.h" #include "vec.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "viewit.h" #include "gmx_ana.h" #include "gromacs/fft/fft.h" diff --git a/src/gromacs/gmxana/gmx_wham.cpp b/src/gromacs/gmxana/gmx_wham.cpp index 2950d89fdf..817213c459 100644 --- a/src/gromacs/gmxana/gmx_wham.cpp +++ b/src/gromacs/gmxana/gmx_wham.cpp @@ -63,7 +63,7 @@ #include "gmx_ana.h" #include "macros.h" #include "gromacs/utility/cstringutil.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/fatalerror.h" diff --git a/src/gromacs/gmxlib/sfactor.c b/src/gromacs/gmxlib/sfactor.c index 033cc4ca94..d186fa2ca4 100644 --- a/src/gromacs/gmxlib/sfactor.c +++ b/src/gromacs/gmxlib/sfactor.c @@ -51,7 +51,7 @@ #include "typedefs.h" #include "oenv.h" #include "gromacs/fileio/gmxfio.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/matio.h" #include "names.h" #include "sfactor.h" diff --git a/src/gromacs/gmxpreprocess/insert-molecules.cpp b/src/gromacs/gmxpreprocess/insert-molecules.cpp index 428f1e9cb9..590672eabf 100644 --- a/src/gromacs/gmxpreprocess/insert-molecules.cpp +++ b/src/gromacs/gmxpreprocess/insert-molecules.cpp @@ -57,7 +57,7 @@ #include "addconf.h" #include "read-conformation.h" #include "pbc.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/utility/cstringutil.h" diff --git a/src/gromacs/imd/imd.c b/src/gromacs/imd/imd.c index 960d9504a8..1210cdf2f6 100644 --- a/src/gromacs/imd/imd.c +++ b/src/gromacs/imd/imd.c @@ -66,7 +66,7 @@ #include "mdrun.h" #include "sighandler.h" #include "gmx_ga2la.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/mdlib/groupcoord.h" #include "gromacs/fileio/confio.h" #include "mtop_util.h" diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c index 285f65e67f..106161d8c0 100644 --- a/src/gromacs/mdlib/mdebin.c +++ b/src/gromacs/mdlib/mdebin.c @@ -54,7 +54,7 @@ #include "orires.h" #include "constr.h" #include "mtop_util.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "gromacs/fileio/gmxfio.h" #include "macros.h" #include "mdrun.h" diff --git a/src/gromacs/mdlib/tables.c b/src/gromacs/mdlib/tables.c index b2d67b5b1f..6d8aff2040 100644 --- a/src/gromacs/mdlib/tables.c +++ b/src/gromacs/mdlib/tables.c @@ -45,7 +45,7 @@ #include "gromacs/utility/smalloc.h" #include "gromacs/utility/fatalerror.h" #include "gromacs/utility/futil.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "vec.h" #include "network.h" #include "physics.h" diff --git a/src/gromacs/mdlib/tpi.c b/src/gromacs/mdlib/tpi.c index eaa48a1ba8..479df9b44d 100644 --- a/src/gromacs/mdlib/tpi.c +++ b/src/gromacs/mdlib/tpi.c @@ -64,7 +64,7 @@ #include "domdec.h" #include "gromacs/random/random.h" #include "physics.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "mdatoms.h" #include "ns.h" #include "mtop_util.h" diff --git a/src/gromacs/pulling/pull.c b/src/gromacs/pulling/pull.c index e5bfdfede0..06813294c2 100644 --- a/src/gromacs/pulling/pull.c +++ b/src/gromacs/pulling/pull.c @@ -53,7 +53,7 @@ #include #include "gromacs/utility/smalloc.h" #include "pull.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "names.h" #include "pbc.h" #include "mtop_util.h" diff --git a/src/gromacs/pulling/pull_rotation.c b/src/gromacs/pulling/pull_rotation.c index 28061bee15..d0e953ba43 100644 --- a/src/gromacs/pulling/pull_rotation.c +++ b/src/gromacs/pulling/pull_rotation.c @@ -53,7 +53,7 @@ #include "names.h" #include "vec.h" #include "gmx_ga2la.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "copyrite.h" #include "macros.h" diff --git a/src/gromacs/swap/swapcoords.c b/src/gromacs/swap/swapcoords.c index 38ad0b5036..ee8847e830 100644 --- a/src/gromacs/swap/swapcoords.c +++ b/src/gromacs/swap/swapcoords.c @@ -57,7 +57,7 @@ #include "names.h" #include "network.h" #include "mdrun.h" -#include "xvgr.h" +#include "gromacs/fileio/xvgr.h" #include "copyrite.h" #include "gromacs/fileio/confio.h" #include "gromacs/timing/wallcycle.h" diff --git a/tests/CppCheck.cmake b/tests/CppCheck.cmake index 1d7ac5c8e8..2d6bda6895 100644 --- a/tests/CppCheck.cmake +++ b/tests/CppCheck.cmake @@ -90,7 +90,7 @@ if (CPPCHECK_EXECUTABLE AND UNIX) --suppress=variableScope --suppress=unnecessaryForwardDeclaration --suppress=invalidscanf:src/gromacs/fileio/matio.cpp - --suppress=invalidscanf:src/gromacs/gmxlib/xvgr.cpp + --suppress=invalidscanf:src/gromacs/fileio/xvgr.cpp --suppress=invalidscanf:src/gromacs/gmxpreprocess/pdb2top.cpp --suppress=*:src/gromacs/selection/scanner.cpp)