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 2a06a1f80937cdf8d2e09810d82d7b82b2682dcd..e041d004436878a5403e50c7b30b6cedd7774102 100644 (file)
--- 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 383a0dea12ab51ef464aeaa6910acc36b94528e8..0f6b3c4c74c0b56e2c599594a5fedf2ab1c26265 100644 (file)
--- 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 c1e340d25804b0632c532ef76baaf1417d56e749..95f4ab9a0d2fda0c60b199591afc0d30fc4be277 100644 (file)
--- 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 bc46738efe9257f6a50ce3e67c5f52d815b7a485..a5e9f80f0d7e8e10aec456c54f51158f243ee175 100644 (file)
--- 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 2a06da7c890019a7990fc5f636117e4417f7c831..7f9583afb0e35f04ba2f4de158d5b26bb3c4ef46 100644 (file)
--- 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 b97146db75b4b265a3a16d2621d00df88623c347..1f2f4936ac1fb2ea590c9e78a4bb543108145f59 100644 (file)
--- 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 017604b6152ea7f6c395fd08dc088bf84bfb32c0..55fd5fb3940023f82ad40630b7b5d51350eb80db 100644 (file)
--- 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 ca66a1fdf75716ed9b2fa210f05570b4c2264ebe..7b0f0b20e31050152dec42bdc7ed4ef7261d6913 100644 (file)
--- 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 8c0443dc9d69a3d2334e8d920a704d4b94112bbe..028e9f9636dcb252a933eaf744f8b0d0540e54ce 100644 (file)
--- 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 67ce9f9b87452adbd0756197fcfefe7fba4b760d..21d6422150a4b7170852301799beb86e64ab08fa 100644 (file)
--- 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 a8c09547f4d999979bc88f34b32ffce86166bbbd..bb820b6290121ad4308ef6ef5c197ea838fc18a9 100644 (file)
--- 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 5fcd5f89ab176472c867df62d63a7a60fc424660..37836b6821511ebe20c2c5955522a5c5cae6dfc4 100644 (file)
--- 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 <config.h>
 #endif
@@ -46,18 +48,17 @@
 #include <sys/time.h>
 #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 8117af83e4b107083055c8e5081e6ab96a329dfc..d7fd73868982ba42cc3e4f0c0d34d27d952af004 100644 (file)
--- 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 <stdio.h>
 
-#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 a6e926d3c2b24375e4e0422405d98ba9ce0c0244..78db627e41dd3c38ff8dd94ef8bf333618f373e3 100644 (file)
--- 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 76b9a20f58be8c5c604e021cbe69b9e28ea50f57..7645f15d98d95e321194799422e2b10f4ae366f6 100644 (file)
--- 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 d09ee283f285d0525df4f3acb2c66c2043bb846e..9c2bb517c601216e33cefd263d36abff92242bdd 100644 (file)
--- 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 7a38b4c6af241d05bb6d12c44f9d584ec4bedc1e..80ba9ee55b85d7324f96ae84f82bf9e608646160 100644 (file)
--- 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 7c0da6dfe008055576ceb2d1186e5126a84b5429..dc7304ac88c857da72509a2cd69c11566c00ce4b 100644 (file)
--- 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 723c19b42db8468db0372099388b95e47e4a26d8..b47274b950f63632ebbf06e13ad5d570e9c28ec5 100644 (file)
--- 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 f88367991c2c2c22b05db0f9376f1e7eddf21ce8..fd6a7548e9dda0dfccdd5e634c19c068b3ee5250 100644 (file)
--- 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 ca0cd6c2fd000b17498ffefea42d23b9fb7b5c8b..3354d787df65683dc3bf5608618940811148bb17 100644 (file)
--- 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 f3e839cad955f7973f8788cb90415530ed54a919..18881595743e8a461cd6277b9e5836d42a80eb91 100644 (file)
--- 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 aa3c9857551279dffbc13f58942542a18b456ffb..3c40ffd893381887e27f2872accac32f749e41cd 100644 (file)
--- 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 e878d8342a98ba33e272cfcf1d1ded8d40b76f14..cb812165a467ca4e2a697148f8d7a4b6d5c4d09a 100644 (file)
--- 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 86a0cdc21b5f876a7333b2236896a781b6cb1226..98bf273f159b21c08ba41a6e0db776bdafee9ac2 100644 (file)
--- 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 6c26fc03b8bfd93411e8ddc05b7b03a1132ece13..93a09cc4441899bf363b80b080076de247aab99a 100644 (file)
--- 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 a8b862514f5b5d59595786150e340b6014b7405c..9e4b5fc1eb6e50a0ca9f96cfee5b2242f7fa6353 100644 (file)
--- 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 d6531e04a27f33bd67e26bb8174a93a0f3795a2a..8381843303852c7d686465c9cdbc1bd847744460 100644 (file)
--- 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 02202f8e1f79388d0efa4666d3eff337171d8081..2c7b839e38137cf3d47058e1c864e6772361e6db 100644 (file)
--- 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 2f68a4a15e4b1d0d584d16e00c5c58cd7dd7a0ef..13af8726ac978fdb5977fc3acbe12b83cfb44046 100644 (file)
--- 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 f88fb68d12317b68f5f93e584d5650807019df4b..79abfc3aede96dc7c98234cca1e0665940a950db 100644 (file)
--- 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 467049019662d48f1c5db767667b10c306ed6f4f..0b4b1c7fc486516ab464ba8bf79e553f2550a1d1 100644 (file)
--- 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 47d67887ccaa02ad842f05454fe39dc392658da6..85623881a34c3968d8e9e045efd1e06d1a440482 100644 (file)
--- 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 17340d6962edd8bd538d43522ebfdbdf8b05148c..d3fdbb995224fddf4b88ea273c0248b2734b3c18 100644 (file)
--- 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 c6e1941e2ff54f494031220f9c6c3c45dda9fc57..31ce324c77fa707271b912b1c7b8b8a3c2d45d83 100644 (file)
--- 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 30d2ba1943c728de2b9c3aa9c4714f554f65e47d..ee42cbe9a9a65ae8c0c99a9ecbf58433d9f094a5 100644 (file)
--- 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 f09f1b4897ebd22e1e65be390c3b80ae6bfffefb..694c1418f4aebd58641e06ebc9c599b293fef0b5 100644 (file)
--- 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 ebacc2c22968627f1070fd7d165a78b312a5e71c..d7ad5505a9b65c42fc80a4c853adc50bf0b5d41a 100644 (file)
--- 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 647cd7bc6e6f08ea17371c43fab28bd7b078d95b..573a33c0962eab221a728a7bab665f82a6273f7f 100644 (file)
--- 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 f6530dd1384ef9d852f0b69990d7559ab2553876..b6a56a94bd9034b78bbaa232e6c7b7f2a1056ca2 100644 (file)
--- 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 928a29c09c3c914fdf318375b1fc598e29a09907..7a6ef9561f056e110ec2319035e14ac016cfb98b 100644 (file)
--- 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 c7f1aa1c2e93a35dac791a86794aa1943d3d3396..a5490e110babe86307d031fef4fa64cbe36f554e 100644 (file)
--- 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 c53e237908af1500c838e26ecf86971a3a908b18..f1b32bf0d717f2f5ad68fd23eb911ed2a5191675 100644 (file)
--- 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 280ab28274d8453d1bb6a045e6a8209890686fb3..b2909d15d323c4c7d5219c746e5c4a8caa365810 100644 (file)
--- 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 04e842061762082c4786a3db23232f2b6ff37739..4e0c08bebd61d634e0a1286a45b8a6725d9c888c 100644 (file)
--- 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 fada6fb920977bf710cbbc80dd298aa1198e2281..4d70280c4a9bb99d08c85e1924e44c3120a2712a 100644 (file)
--- 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 e1afd793f80f06ccc225ef14dec424736929a194..66bbbff6d1538245df4ad82fd28c45b9f926e544 100644 (file)
--- 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 d115781f81f7c3e38a9bc4a2e0f08d9c48eb106b..f42e7934c793dbc3c87b5f8c32e62f480a091324 100644 (file)
--- 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 7bc3adf779ceb3cd15ba99fa7bc5afe8e4f07f49..6ad9c8fe793e2078212a27ed20e7799ddb3e8e57 100644 (file)
--- 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 661398880677e9c35494cd7c929ef582dc1c79f2..9570957ebaf15c5c25ac83487eb68e93408e12b5 100644 (file)
--- 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 2bda314dca7457d92e850f918ddd1477e5328153..953e4eae5fc7ca2236b86a04762bb9b810c79cfb 100644 (file)
--- 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 729ac43c362ff22ae7b71d228ba0ba55875b224e..e081648e5a47e63ac85b98e624ba4e9786ab62d3 100644 (file)
--- 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 12edbc82209e5717785f97beb59cd809c1970f5b..5e99951784919ed0a4cf68993659f038383666a9 100644 (file)
--- 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 439dc1219e2f1295ff3324905935eaae48ba0915..dd480a914b387f7854f36576ad871d630f6d04b7 100644 (file)
--- 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 7dc485b82e74caded92c49aed121d7fdd7e1d7c4..13258038794128390b987f4ac84ecda41bf09ce8 100644 (file)
--- 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 f3764f5f04fc975e5f373ca2b1e1bc03c6711c2d..c611cc21d5411af6f1aa5738cf8235f4b0b903b0 100644 (file)
--- 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 514367abcb4441032004d26c300296ef43beb862..b37459d105dfd9f9abda6beef7430f5595db8fd1 100644 (file)
--- 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 bfbcdb6d8dd1bfceae872dc7f13f315d93c74ab0..2b3ac376e681404e4a8302c31bee40701360411d 100644 (file)
--- 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 db770d65cbc2411eaca2eeeaf357c28bfa613bc3..88126529c1fed892918fe931fc2c969c28a8b5b4 100644 (file)
--- 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 3491703c5630b1c93b453584a9ad944fb4ce3061..05f7e715ce07924be1fefa97da054e456b309248 100644 (file)
--- 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 9e1eb0f1656c247e7f97b6764e8f817063626a83..e56491c626b7e850fe7033459ab99a7b9646151b 100644 (file)
--- 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 f31d03d1ec0a3282e0b6a412c95cb1f83fa41f50..d0b64b17651de62b822cc7bb5c9332f6ac74dccd 100644 (file)
--- 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 af6a25c5344f0c4b779456e2b26df7435fd98590..4e0989174849d78756772d3a93daa4c4057f3640 100644 (file)
--- 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 cb91602246bf0c6625a5048415496695eba06981..d6fe0b7187a24ed7e20f9d886cd22a6ddd75d23f 100644 (file)
--- 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 c894ef63d6ddc6eaaf8938312d73ae6ea3461381..ab037919d4ba290929407d959c7b9e800e310bf5 100644 (file)
--- 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 cca86a81e7164407aecf692ed74d10f4e73355a3..d2277e56628b65fd5765aa84cce2f6dad73139dd 100644 (file)
--- 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 0b4f7ac1393e0f66ba489482941f9c8947f46164..6086a5b47dd8728f7aa1c8d14f77ec348fc59487 100644 (file)
--- 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 93d3d50ba5434a00cfb0e34a9f5cf8b1e1cf2415..814dda66eea600709edd5d2e9f387484aed89d5c 100644 (file)
--- 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 c97e975335e741b14f8c615313b4b639e4af419f..3cef9b92ea3abf37378f65dc5f571d125a9446d1 100644 (file)
--- 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 ef34b90c37e2226e008364c94ee92a9431a6847b..041959c9973bf251024adf05674ce8c292190d32 100644 (file)
--- 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 c4c8b32410d61c3d5499aaa53d205bdb9437cf04..98638cdd74456d223cb45afa638ade014014dff3 100644 (file)
--- 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 9f24ce627a111018bb0393c22fa2263b5d9465e4..eb13aa1883f0ac107f7afc6c2072ad12171278d9 100644 (file)
--- 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 38bab83f7eadff1d3c3bc318a1f8e4643e368bb2..72440bbdb0f146db11569a1b76ced583797238c0 100644 (file)
--- 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 2950d89fdf991c1db9401ec52a4f4b2bd9ea7c28..817213c459d51b81faf98a2b30890f73ac0ed258 100644 (file)
--- 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 033cc4ca94ec54f1c6483645538295e6e8fdea98..d186fa2ca46b46faf05439c62b571ddc2f563a33 100644 (file)
--- 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 428f1e9cb93741432ab88d42bd5bfcc1615ba3cb..590672eabf24a3ec9dc65dcb68d5d67e6849d4c5 100644 (file)
--- 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 960d9504a8c533b0e6f476382e3b77ca1107400b..1210cdf2f6c8cdf5569e2c63c296311b86200d51 100644 (file)
--- 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 285f65e67fa059572ae5087572d7a87fa109f279..106161d8c0310186b3bdef22eea564fe02f30677 100644 (file)
--- 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 b2d67b5b1f7ac566b41b1f487312910e0d2a15a2..6d8aff2040e81a1637ec2cd740d32cd7914d32b7 100644 (file)
--- 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 eaa48a1ba8b303112d0711383daf117dd52e817a..479df9b44d4e9f8cb6297c68051b7bc65e579c9c 100644 (file)
--- 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 e5bfdfede0e95859794ef2abed84069d1e48954e..06813294c2bbb86ed2339d36c0498b1009bea4bd 100644 (file)
--- a/src/gromacs/pulling/pull.c
+++ b/src/gromacs/pulling/pull.c
@@ -53,7 +53,7 @@
 #include <string.h>
 #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 28061bee15cec89a31701d6e1529e351a73644cf..d0e953ba433b76ad0a89cacaf85ccbd9aa264e8e 100644 (file)
--- 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 38ad0b5036b68b0e2a1be5a6324c9e5e970aa03d..ee8847e8308eff14938fb7fe50f1528bf4d11ea1 100644 (file)
--- 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 1d7ac5c8e846a9fdd1c1db4278eaeed4d75c67df..2d6bda6895030bd3c163deefa3a8395e5cedab3d 100644 (file)
--- 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)