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

diff --git a/src/gromacs/gmxana/gmx_densmap.c b/src/gromacs/gmxana/gmx_densmap.c
index c81d91b0a9e2eaac00180c9bb664740daded999c..7c3113518562750903ae4f15bc11383737f35b48 100644 (file)
--- 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 a360e09ebb547503d0352b5d18c1d7bdbe26d06c..4fb40c35838bb495fe0612f90679a046686eca2c 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 "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 78c639a30f4a6ef6aa89bf8e6cf0728d9b685855..a9442050b3f5de5a47da7e71d0c43af4624e4fb0 100644 (file)
--- 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 7b1fc76d5e9938a7084b0d5e4c8fedbd301717e5..f484d226286bef9af1248aca75bd2192f52ca49f 100644 (file)
--- 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 caaeaea118fd63ee185b87dfe82ea38a585a3903..2ff72da0759aabd07f66526be3988d7f71e6e4f8 100644 (file)
--- 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 2fbe8dbfa32c3dbe0d1dc4c8c4f9ef11c1ddfcf8..67026806b6d7ac112add10c258e6535d079cac31 100644 (file)
--- a/src/gromacs/gmxpreprocess/readpull.c
+++ b/src/gromacs/gmxpreprocess/readpull.c
@@ -42,7 +42,6 @@
 #include <stdlib.h>
 
 #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 483dc00fe509b3a1ed4619c8e84bcdfd5ce28147..89c38c3f220fce5e76995f6c956811eb33a52c9f 100644 (file)
--- a/src/gromacs/pulling/pullutil.c
+++ b/src/gromacs/pulling/pullutil.c
@@ -40,7 +40,6 @@
 
 #include <stdlib.h>
 
-#include "princ.h"
 #include "gromacs/utility/futil.h"
 #include "gromacs/math/vec.h"
 #include "gromacs/utility/smalloc.h"