From 64c944e6139822ca925da4fbf440de00e6a86299 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Wed, 21 May 2014 19:47:52 +0200 Subject: [PATCH] Move tools code to where it is used All the actual clients of calch.c and princ.c were respectively in gmxpreprocess and gmxana, so it makes more sense for them to be there, together with their headers. Removed some unneccesary #includes of those headers. Change-Id: I47f6d2f1e3a4670ebba907b874590e362f070eac --- src/gromacs/gmxana/gmx_densmap.c | 1 - src/gromacs/gmxana/gmx_trjorder.c | 2 +- src/gromacs/{gmxlib => gmxana}/princ.c | 0 src/gromacs/{legacyheaders => gmxana}/princ.h | 7 +++---- src/gromacs/{gmxlib => gmxpreprocess}/calch.c | 0 src/gromacs/{legacyheaders => gmxpreprocess}/calch.h | 9 ++++----- src/gromacs/gmxpreprocess/pdb2gmx.c | 1 - src/gromacs/gmxpreprocess/readpull.c | 1 - src/gromacs/pulling/pullutil.c | 1 - 9 files changed, 8 insertions(+), 14 deletions(-) rename src/gromacs/{gmxlib => gmxana}/princ.c (100%) rename src/gromacs/{legacyheaders => gmxana}/princ.h (96%) rename src/gromacs/{gmxlib => gmxpreprocess}/calch.c (100%) rename src/gromacs/{legacyheaders => gmxpreprocess}/calch.h (94%) diff --git a/src/gromacs/gmxana/gmx_densmap.c b/src/gromacs/gmxana/gmx_densmap.c index c81d91b0a9..7c31135185 100644 --- a/src/gromacs/gmxana/gmx_densmap.c +++ b/src/gromacs/gmxana/gmx_densmap.c @@ -49,7 +49,6 @@ #include "pbc.h" #include "gromacs/utility/futil.h" #include "index.h" -#include "princ.h" #include "txtdump.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/gmxana/gmx_trjorder.c b/src/gromacs/gmxana/gmx_trjorder.c index a360e09ebb..4fb40c3583 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 "gromacs/fileio/xvgr.h" -#include "princ.h" + #include "gromacs/pbcutil/rmpbc.h" #include "txtdump.h" #include "gromacs/fileio/tpxio.h" diff --git a/src/gromacs/gmxlib/princ.c b/src/gromacs/gmxana/princ.c similarity index 100% rename from src/gromacs/gmxlib/princ.c rename to src/gromacs/gmxana/princ.c diff --git a/src/gromacs/legacyheaders/princ.h b/src/gromacs/gmxana/princ.h similarity index 96% rename from src/gromacs/legacyheaders/princ.h rename to src/gromacs/gmxana/princ.h index 78c639a30f..a9442050b3 100644 --- a/src/gromacs/legacyheaders/princ.h +++ b/src/gromacs/gmxana/princ.h @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2010, by the GROMACS development team, led by + * Copyright (c) 2010,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -34,9 +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. */ - -#ifndef _princ_h -#define _princ_h +#ifndef GMX_GMXANA_PRINC_H +#define GMX_GMXANA_PRINC_H #include "typedefs.h" diff --git a/src/gromacs/gmxlib/calch.c b/src/gromacs/gmxpreprocess/calch.c similarity index 100% rename from src/gromacs/gmxlib/calch.c rename to src/gromacs/gmxpreprocess/calch.c diff --git a/src/gromacs/legacyheaders/calch.h b/src/gromacs/gmxpreprocess/calch.h similarity index 94% rename from src/gromacs/legacyheaders/calch.h rename to src/gromacs/gmxpreprocess/calch.h index 7b1fc76d5e..f484d22628 100644 --- a/src/gromacs/legacyheaders/calch.h +++ b/src/gromacs/gmxpreprocess/calch.h @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2010, by the GROMACS development team, led by + * Copyright (c) 2010,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -34,9 +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. */ - -#ifndef _calch_h -#define _calch_h +#ifndef GMX_PREPROCESS_CALCH_H +#define GMX_PREPROCESS_CALCH_H #include "typedefs.h" @@ -69,4 +68,4 @@ void calc_h_pos(int nht, rvec xa[], rvec xh[], int *l); } #endif -#endif /* _calch_h */ +#endif diff --git a/src/gromacs/gmxpreprocess/pdb2gmx.c b/src/gromacs/gmxpreprocess/pdb2gmx.c index caaeaea118..2ff72da075 100644 --- a/src/gromacs/gmxpreprocess/pdb2gmx.c +++ b/src/gromacs/gmxpreprocess/pdb2gmx.c @@ -60,7 +60,6 @@ #include "toputil.h" #include "h_db.h" #include "pgutil.h" -#include "calch.h" #include "resall.h" #include "pdb2top.h" #include "ter_db.h" diff --git a/src/gromacs/gmxpreprocess/readpull.c b/src/gromacs/gmxpreprocess/readpull.c index 2fbe8dbfa3..67026806b6 100644 --- a/src/gromacs/gmxpreprocess/readpull.c +++ b/src/gromacs/gmxpreprocess/readpull.c @@ -42,7 +42,6 @@ #include #include "gromacs/utility/cstringutil.h" -#include "princ.h" #include "gromacs/utility/futil.h" #include "gromacs/math/vec.h" #include "gromacs/utility/smalloc.h" diff --git a/src/gromacs/pulling/pullutil.c b/src/gromacs/pulling/pullutil.c index 483dc00fe5..89c38c3f22 100644 --- a/src/gromacs/pulling/pullutil.c +++ b/src/gromacs/pulling/pullutil.c @@ -40,7 +40,6 @@ #include -#include "princ.h" #include "gromacs/utility/futil.h" #include "gromacs/math/vec.h" #include "gromacs/utility/smalloc.h" -- 2.22.0